2-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-5-propylcyclohexan-1-amine

C16H32N2O — CID 61431166

IUPAC2-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-5-propylcyclohexan-1-amine
SMILESCCCC1CCC(CN)C(N(C)CC2CCCO2)C1
InChIInChI=1S/C16H32N2O/c1-3-5-13-7-8-14(11-17)16(10-13)18(2)12-15-6-4-9-19-15/h13-16H,3-12,17H2,1-2H3
InChIKeyQKDSYIOBVGWEAO-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.64
Rot. Bonds6

About 2-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-5-propylcyclohexan-1-amine

2-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-5-propylcyclohexan-1-amine (PubChem CID 61431166) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-5-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-5-propylcyclohexan-1-amine
PubChem CID61431166
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-5-propylcyclohexan-1-amine
SMILESCCCC1CCC(CN)C(N(C)CC2CCCO2)C1
InChIInChI=1S/C16H32N2O/c1-3-5-13-7-8-14(11-17)16(10-13)18(2)12-15-6-4-9-19-15/h13-16H,3-12,17H2,1-2H3
InChIKeyQKDSYIOBVGWEAO-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-5-ethyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 61431165
2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
CID 61431444
cis-(1R,2S)-2-N-methyl-2-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,2-diamine
CID 129430640
2-(oxolan-2-ylmethyl)-4-propylcyclohexan-1-ol
CID 62550015
2-(aminomethyl)-5-tert-butyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 61433986
2-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-5-propylcyclohexan-1-amine
CID 63404191
4-ethyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 62610434
2-N-methyl-2-N-(oxan-2-ylmethyl)cyclooctane-1,2-diamine
CID 61431779
2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine
CID 80998923
N-[(2-amino-5-propylcyclohexyl)methyl]-N,2-dimethyloxolan-3-amine
CID 82743288
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-4-propylcyclohexane-1,2-diamine
CID 63233108
N-[2-(aminomethyl)-5-propylcyclohexyl]-N-ethyl-3-methylaniline
CID 63404368

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-5-propylcyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-5-propylcyclohexan-1-amine (CID 61431166) is 2-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-5-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-5-propylcyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-5-propylcyclohexan-1-amine is CCCC1CCC(CN)C(N(C)CC2CCCO2)C1.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-5-propylcyclohexan-1-amine?
The InChIKey is QKDSYIOBVGWEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-5-13-7-8-14(11-17)16(10-13)18(2)12-15-6-4-9-19-15/h13-16H,3-12,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-5-propylcyclohexan-1-amine?
2-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-5-propylcyclohexan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-5-propylcyclohexan-1-amine is sourced from PubChem (CID 61431166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).