1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine

C16H34N2O — CID 107428982

IUPAC1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCOCC(C)N(C)C1(CN)CCCC(CC(C)C)C1
InChIInChI=1S/C16H34N2O/c1-13(2)9-15-7-6-8-16(10-15,12-17)18(4)14(3)11-19-5/h13-15H,6-12,17H2,1-5H3
InChIKeyLVRWQCVSRGKDRR-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.89
Rot. Bonds7

About 1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine

1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 107428982) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine
PubChem CID107428982
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCOCC(C)N(C)C1(CN)CCCC(CC(C)C)C1
InChIInChI=1S/C16H34N2O/c1-13(2)9-15-7-6-8-16(10-15,12-17)18(4)14(3)11-19-5/h13-15H,6-12,17H2,1-5H3
InChIKeyLVRWQCVSRGKDRR-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(4-methylsulfanylbutan-2-yl)cyclohexan-1-amine
CID 107429152
1-(aminomethyl)-N-(2-ethoxyethyl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107429111
1-(aminomethyl)-N-ethyl-N,3-bis(2-methylpropyl)cyclohexan-1-amine
CID 107428924
1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62704477
1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-4-propylcyclohexan-1-amine
CID 54947055
1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107449052
1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylcyclopentan-1-amine
CID 64502008
1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 107429103
N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 107428952
[7-(2-methylpropyl)spiro[2.5]octan-2-yl]methanamine
CID 107430357
1-(aminomethyl)-3-ethoxy-N-ethyl-N-(1-methoxypropan-2-yl)cyclobutan-1-amine
CID 106821942
1-(aminomethyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429492

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine (CID 107428982) is 1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine is COCC(C)N(C)C1(CN)CCCC(CC(C)C)C1.
What is the InChIKey of 1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is LVRWQCVSRGKDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-13(2)9-15-7-6-8-16(10-15,12-17)18(4)14(3)11-19-5/h13-15H,6-12,17H2,1-5H3.
What are the key properties of 1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine?
1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 107428982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).