3-methylcyclopentan-1-ol;N-methylcyclopropanamine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;N-methyl-1-pyrrolidin-1-ylmethanamine

C39H85N7O4 — CID 160741972

IUPAC3-methylcyclopentan-1-ol;N-methylcyclopropanamine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;N-methyl-1-pyrrolidin-1-ylmethanamine
SMILESCC1CCC(O)C1.CN1CCC(O)CC1.CN1CCCC(O)C1.CN1CCCCC1.CN1CCOCC1.CNC1CC1.CNCN1CCCC1
InChIInChI=1S/C6H14N2.2C6H13NO.C6H13N.C6H12O.C5H11NO.C4H9N/c1-7-6-8-4-2-3-5-8;1-7-4-2-6(8)3-5-7;1-7-4-2-3-6(8)5-7;1-7-5-3-2-4-6-7;1-5-2-3-6(7)4-5;1-6-2-4-7-5-3-6;1-5-4-2-3-4/h7H,2-6H2,1H3;2*6,8H,2-5H2,1H3;2-6H2,1H3;5-7H,2-4H2,1H3;2-5H2,1H3;4-5H,2-3H2,1H3
InChIKeyRVRXLQAOOXMMSN-UHFFFAOYSA-N
MW716.15 g/mol
LogP2.99
Rot. Bonds3

About 3-methylcyclopentan-1-ol;N-methylcyclopropanamine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;N-methyl-1-pyrrolidin-1-ylmethanamine

3-methylcyclopentan-1-ol;N-methylcyclopropanamine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;N-methyl-1-pyrrolidin-1-ylmethanamine (PubChem CID 160741972) has the molecular formula C39H85N7O4 and a molecular weight of 716.15 g/mol. Its IUPAC name is 3-methylcyclopentan-1-ol;N-methylcyclopropanamine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;N-methyl-1-pyrrolidin-1-ylmethanamine.

Molecular Properties

Compound Name3-methylcyclopentan-1-ol;N-methylcyclopropanamine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;N-methyl-1-pyrrolidin-1-ylmethanamine
PubChem CID160741972
Molecular FormulaC39H85N7O4
Molecular Weight716.15 g/mol
Exact Mass715.67
IUPAC Name3-methylcyclopentan-1-ol;N-methylcyclopropanamine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;N-methyl-1-pyrrolidin-1-ylmethanamine
SMILESCC1CCC(O)C1.CN1CCC(O)CC1.CN1CCCC(O)C1.CN1CCCCC1.CN1CCOCC1.CNC1CC1.CNCN1CCCC1
InChIInChI=1S/C6H14N2.2C6H13NO.C6H13N.C6H12O.C5H11NO.C4H9N/c1-7-6-8-4-2-3-5-8;1-7-4-2-6(8)3-5-7;1-7-4-2-3-6(8)5-7;1-7-5-3-2-4-6-7;1-5-2-3-6(7)4-5;1-6-2-4-7-5-3-6;1-5-4-2-3-4/h7H,2-6H2,1H3;2*6,8H,2-5H2,1H3;2-6H2,1H3;5-7H,2-4H2,1H3;2-5H2,1H3;4-5H,2-3H2,1H3
InChIKeyRVRXLQAOOXMMSN-UHFFFAOYSA-N
XLogP2.99
TPSA110.18 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.15
LogP ≤ 52.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 3-methylcyclopentan-1-ol;N-methylcyclopropanamine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;N-methyl-1-pyrrolidin-1-ylmethanamine with MolForge

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Related Compounds

(4S)-1-methylazepan-4-ol
CID 29414429
1-methylazepan-3-ol
CID 22636113
(4S)-1-methylazepan-4-ol;hydrochloride
CID 175654046
cis-(1S,3R)-N,3-dimethylcyclopentan-1-amine;bis(cis-(1R,3S)-N,3-dimethylcyclopentan-1-amine);N,3-dimethylcyclobutan-1-amine;(3S)-N,3-dimethylcyclopentan-1-amine;(3R)-1,3-dimethylpiperidine
CID 158398099
2,2-dimethylpropane;1,3-dimethylpyrrolidine;methoxyethane;1-(1-methoxyethenyl)-4-methylpiperazine;bis(methylcyclohexane);methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;1-methyl-4-prop-1-en-2-ylpiperazine
CID 165061734
1-(3-morpholin-4-ylpropyl)piperidin-3-ol
CID 111461736
(3S)-1,3-dimethylpyrrolidine;(3S)-1-methylpyrrolidin-3-ol
CID 159420555
N-methyl-1-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 60819990
1-ethylpiperidine;4-methylmorpholine
CID 70445137
1-cyclohexyl-N-methylmethanamine;1-[4-(methylamino)piperidin-1-yl]ethanone;N-methylcyclopentanamine;N-methyl-1-(1-methylpyrrol-2-yl)methanamine;4-methylmorpholine;N-methyloxan-4-amine;N-methyl-1-(oxolan-2-yl)methanamine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidin-4-ol;1-methylpyrrolidine
CID 159907877
3-methyl-N-(2-morpholin-4-ylethyl)cyclopentan-1-amine
CID 23767314
3-methyl-N-[(1-methylpiperidin-3-yl)methyl]cyclopentan-1-amine
CID 64502172

Frequently Asked Questions

What is the IUPAC name of 3-methylcyclopentan-1-ol;N-methylcyclopropanamine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;N-methyl-1-pyrrolidin-1-ylmethanamine?
The IUPAC name of 3-methylcyclopentan-1-ol;N-methylcyclopropanamine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;N-methyl-1-pyrrolidin-1-ylmethanamine (CID 160741972) is 3-methylcyclopentan-1-ol;N-methylcyclopropanamine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;N-methyl-1-pyrrolidin-1-ylmethanamine.
What is the SMILES notation for 3-methylcyclopentan-1-ol;N-methylcyclopropanamine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;N-methyl-1-pyrrolidin-1-ylmethanamine?
The canonical SMILES for 3-methylcyclopentan-1-ol;N-methylcyclopropanamine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;N-methyl-1-pyrrolidin-1-ylmethanamine is CC1CCC(O)C1.CN1CCC(O)CC1.CN1CCCC(O)C1.CN1CCCCC1.CN1CCOCC1.CNC1CC1.CNCN1CCCC1.
What is the InChIKey of 3-methylcyclopentan-1-ol;N-methylcyclopropanamine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;N-methyl-1-pyrrolidin-1-ylmethanamine?
The InChIKey is RVRXLQAOOXMMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.2C6H13NO.C6H13N.C6H12O.C5H11NO.C4H9N/c1-7-6-8-4-2-3-5-8;1-7-4-2-6(8)3-5-7;1-7-4-2-3-6(8)5-7;1-7-5-3-2-4-6-7;1-5-2-3-6(7)4-5;1-6-2-4-7-5-3-6;1-5-4-2-3-4/h7H,2-6H2,1H3;2*6,8H,2-5H2,1H3;2-6H2,1H3;5-7H,2-4H2,1H3;2-5H2,1H3;4-5H,2-3H2,1H3.
What are the key properties of 3-methylcyclopentan-1-ol;N-methylcyclopropanamine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;N-methyl-1-pyrrolidin-1-ylmethanamine?
3-methylcyclopentan-1-ol;N-methylcyclopropanamine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;N-methyl-1-pyrrolidin-1-ylmethanamine has a molecular weight of 716.15 g/mol, XLogP of 2.99, 3 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclopentan-1-ol;N-methylcyclopropanamine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;N-methyl-1-pyrrolidin-1-ylmethanamine is sourced from PubChem (CID 160741972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).