1-cyclohexyl-N-methylmethanamine;1,4-dimethylpiperidine;1-[4-(methylamino)piperidin-1-yl]ethanone;N-methylcyclohexanamine;N-methylcyclopentanamine;N-methyl-1-(1-methylpyrrol-2-yl)methanamine;4-methylmorpholine;N-methyl-1-(oxolan-2-yl)methanamine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpyrrolidine

C66H137N13O4 — CID 159830322

IUPAC1-cyclohexyl-N-methylmethanamine;1,4-dimethylpiperidine;1-[4-(methylamino)piperidin-1-yl]ethanone;N-methylcyclohexanamine;N-methylcyclopentanamine;N-methyl-1-(1-methylpyrrol-2-yl)methanamine;4-methylmorpholine;N-methyl-1-(oxolan-2-yl)methanamine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpyrrolidine
SMILESCC(=O)N1CCN(C)CC1.CC1CCN(C)CC1.CN1CCCC1.CN1CCOCC1.CNC1CCCC1.CNC1CCCCC1.CNC1CCN(C(C)=O)CC1.CNCC1CCCCC1.CNCC1CCCO1.CNCc1cccn1C
InChIInChI=1S/C8H16N2O.C8H17N.C7H14N2O.C7H12N2.2C7H15N.C6H13NO.C6H13N.C5H11NO.C5H11N/c1-7(11)10-5-3-8(9-2)4-6-10;1-9-7-8-5-3-2-4-6-8;1-7(10)9-5-3-8(2)4-6-9;1-8-6-7-4-3-5-9(7)2;1-7-3-5-8(2)6-4-7;1-8-7-5-3-2-4-6-7;1-7-5-6-3-2-4-8-6;1-7-6-4-2-3-5-6;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6/h8-9H,3-6H2,1-2H3;8-9H,2-7H2,1H3;3-6H2,1-2H3;3-5,8H,6H2,1-2H3;7H,3-6H2,1-2H3;7-8H,2-6H2,1H3;6-7H,2-5H2,1H3;6-7H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3
InChIKeyNNJMFEKASHBUQM-UHFFFAOYSA-N
MW1176.91 g/mol
LogP7.61
Rot. Bonds9

About 1-cyclohexyl-N-methylmethanamine;1,4-dimethylpiperidine;1-[4-(methylamino)piperidin-1-yl]ethanone;N-methylcyclohexanamine;N-methylcyclopentanamine;N-methyl-1-(1-methylpyrrol-2-yl)methanamine;4-methylmorpholine;N-methyl-1-(oxolan-2-yl)methanamine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpyrrolidine

1-cyclohexyl-N-methylmethanamine;1,4-dimethylpiperidine;1-[4-(methylamino)piperidin-1-yl]ethanone;N-methylcyclohexanamine;N-methylcyclopentanamine;N-methyl-1-(1-methylpyrrol-2-yl)methanamine;4-methylmorpholine;N-methyl-1-(oxolan-2-yl)methanamine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpyrrolidine (PubChem CID 159830322) has the molecular formula C66H137N13O4 and a molecular weight of 1176.91 g/mol. Its IUPAC name is 1-cyclohexyl-N-methylmethanamine;1,4-dimethylpiperidine;1-[4-(methylamino)piperidin-1-yl]ethanone;N-methylcyclohexanamine;N-methylcyclopentanamine;N-methyl-1-(1-methylpyrrol-2-yl)methanamine;4-methylmorpholine;N-methyl-1-(oxolan-2-yl)methanamine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpyrrolidine.

Molecular Properties

Compound Name1-cyclohexyl-N-methylmethanamine;1,4-dimethylpiperidine;1-[4-(methylamino)piperidin-1-yl]ethanone;N-methylcyclohexanamine;N-methylcyclopentanamine;N-methyl-1-(1-methylpyrrol-2-yl)methanamine;4-methylmorpholine;N-methyl-1-(oxolan-2-yl)methanamine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpyrrolidine
PubChem CID159830322
Molecular FormulaC66H137N13O4
Molecular Weight1176.91 g/mol
Exact Mass1176.09
IUPAC Name1-cyclohexyl-N-methylmethanamine;1,4-dimethylpiperidine;1-[4-(methylamino)piperidin-1-yl]ethanone;N-methylcyclohexanamine;N-methylcyclopentanamine;N-methyl-1-(1-methylpyrrol-2-yl)methanamine;4-methylmorpholine;N-methyl-1-(oxolan-2-yl)methanamine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpyrrolidine
SMILESCC(=O)N1CCN(C)CC1.CC1CCN(C)CC1.CN1CCCC1.CN1CCOCC1.CNC1CCCC1.CNC1CCCCC1.CNC1CCN(C(C)=O)CC1.CNCC1CCCCC1.CNCC1CCCO1.CNCc1cccn1C
InChIInChI=1S/C8H16N2O.C8H17N.C7H14N2O.C7H12N2.2C7H15N.C6H13NO.C6H13N.C5H11NO.C5H11N/c1-7(11)10-5-3-8(9-2)4-6-10;1-9-7-8-5-3-2-4-6-8;1-7(10)9-5-3-8(2)4-6-9;1-8-6-7-4-3-5-9(7)2;1-7-3-5-8(2)6-4-7;1-8-7-5-3-2-4-6-7;1-7-5-6-3-2-4-8-6;1-7-6-4-2-3-5-6;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6/h8-9H,3-6H2,1-2H3;8-9H,2-7H2,1H3;3-6H2,1-2H3;3-5,8H,6H2,1-2H3;7H,3-6H2,1-2H3;7-8H,2-6H2,1H3;6-7H,2-5H2,1H3;6-7H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3
InChIKeyNNJMFEKASHBUQM-UHFFFAOYSA-N
XLogP7.61
TPSA149.15 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms83
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001176.91
LogP ≤ 57.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 1-cyclohexyl-N-methylmethanamine;1,4-dimethylpiperidine;1-[4-(methylamino)piperidin-1-yl]ethanone;N-methylcyclohexanamine;N-methylcyclopentanamine;N-methyl-1-(1-methylpyrrol-2-yl)methanamine;4-methylmorpholine;N-methyl-1-(oxolan-2-yl)methanamine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methylmethanamine;1,4-dimethylpiperidine;1-[4-(methylamino)piperidin-1-yl]ethanone;N-methylcyclohexanamine;N-methylcyclopentanamine;N-methyl-1-(1-methylpyrrol-2-yl)methanamine;4-methylmorpholine;N-methyl-1-(oxolan-2-yl)methanamine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpyrrolidine?
The IUPAC name of 1-cyclohexyl-N-methylmethanamine;1,4-dimethylpiperidine;1-[4-(methylamino)piperidin-1-yl]ethanone;N-methylcyclohexanamine;N-methylcyclopentanamine;N-methyl-1-(1-methylpyrrol-2-yl)methanamine;4-methylmorpholine;N-methyl-1-(oxolan-2-yl)methanamine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpyrrolidine (CID 159830322) is 1-cyclohexyl-N-methylmethanamine;1,4-dimethylpiperidine;1-[4-(methylamino)piperidin-1-yl]ethanone;N-methylcyclohexanamine;N-methylcyclopentanamine;N-methyl-1-(1-methylpyrrol-2-yl)methanamine;4-methylmorpholine;N-methyl-1-(oxolan-2-yl)methanamine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpyrrolidine.
What is the SMILES notation for 1-cyclohexyl-N-methylmethanamine;1,4-dimethylpiperidine;1-[4-(methylamino)piperidin-1-yl]ethanone;N-methylcyclohexanamine;N-methylcyclopentanamine;N-methyl-1-(1-methylpyrrol-2-yl)methanamine;4-methylmorpholine;N-methyl-1-(oxolan-2-yl)methanamine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpyrrolidine?
The canonical SMILES for 1-cyclohexyl-N-methylmethanamine;1,4-dimethylpiperidine;1-[4-(methylamino)piperidin-1-yl]ethanone;N-methylcyclohexanamine;N-methylcyclopentanamine;N-methyl-1-(1-methylpyrrol-2-yl)methanamine;4-methylmorpholine;N-methyl-1-(oxolan-2-yl)methanamine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpyrrolidine is CC(=O)N1CCN(C)CC1.CC1CCN(C)CC1.CN1CCCC1.CN1CCOCC1.CNC1CCCC1.CNC1CCCCC1.CNC1CCN(C(C)=O)CC1.CNCC1CCCCC1.CNCC1CCCO1.CNCc1cccn1C.
What is the InChIKey of 1-cyclohexyl-N-methylmethanamine;1,4-dimethylpiperidine;1-[4-(methylamino)piperidin-1-yl]ethanone;N-methylcyclohexanamine;N-methylcyclopentanamine;N-methyl-1-(1-methylpyrrol-2-yl)methanamine;4-methylmorpholine;N-methyl-1-(oxolan-2-yl)methanamine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpyrrolidine?
The InChIKey is NNJMFEKASHBUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C8H17N.C7H14N2O.C7H12N2.2C7H15N.C6H13NO.C6H13N.C5H11NO.C5H11N/c1-7(11)10-5-3-8(9-2)4-6-10;1-9-7-8-5-3-2-4-6-8;1-7(10)9-5-3-8(2)4-6-9;1-8-6-7-4-3-5-9(7)2;1-7-3-5-8(2)6-4-7;1-8-7-5-3-2-4-6-7;1-7-5-6-3-2-4-8-6;1-7-6-4-2-3-5-6;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6/h8-9H,3-6H2,1-2H3;8-9H,2-7H2,1H3;3-6H2,1-2H3;3-5,8H,6H2,1-2H3;7H,3-6H2,1-2H3;7-8H,2-6H2,1H3;6-7H,2-5H2,1H3;6-7H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3.
What are the key properties of 1-cyclohexyl-N-methylmethanamine;1,4-dimethylpiperidine;1-[4-(methylamino)piperidin-1-yl]ethanone;N-methylcyclohexanamine;N-methylcyclopentanamine;N-methyl-1-(1-methylpyrrol-2-yl)methanamine;4-methylmorpholine;N-methyl-1-(oxolan-2-yl)methanamine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpyrrolidine?
1-cyclohexyl-N-methylmethanamine;1,4-dimethylpiperidine;1-[4-(methylamino)piperidin-1-yl]ethanone;N-methylcyclohexanamine;N-methylcyclopentanamine;N-methyl-1-(1-methylpyrrol-2-yl)methanamine;4-methylmorpholine;N-methyl-1-(oxolan-2-yl)methanamine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpyrrolidine has a molecular weight of 1176.91 g/mol, XLogP of 7.61, 9 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methylmethanamine;1,4-dimethylpiperidine;1-[4-(methylamino)piperidin-1-yl]ethanone;N-methylcyclohexanamine;N-methylcyclopentanamine;N-methyl-1-(1-methylpyrrol-2-yl)methanamine;4-methylmorpholine;N-methyl-1-(oxolan-2-yl)methanamine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpyrrolidine is sourced from PubChem (CID 159830322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).