1-(aminomethyl)-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

C16H32N2O — CID 107429090

IUPAC1-(aminomethyl)-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(CN)(NCC2CCCO2)C1
InChIInChI=1S/C16H32N2O/c1-13(2)9-14-5-3-7-16(10-14,12-17)18-11-15-6-4-8-19-15/h13-15,18H,3-12,17H2,1-2H3
InChIKeyQRMFNOOFIWPQBP-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.69
Rot. Bonds6

About 1-(aminomethyl)-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

1-(aminomethyl)-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 107429090) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-(aminomethyl)-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
PubChem CID107429090
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-(aminomethyl)-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(CN)(NCC2CCCO2)C1
InChIInChI=1S/C16H32N2O/c1-13(2)9-14-5-3-7-16(10-14,12-17)18-11-15-6-4-8-19-15/h13-15,18H,3-12,17H2,1-2H3
InChIKeyQRMFNOOFIWPQBP-UHFFFAOYSA-N
XLogP2.69
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 65376736
1-(aminomethyl)-4,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 65377148
4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 65378603
N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]morpholin-4-amine
CID 107429124
1-(chloromethyl)-3-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 65030300
3-(aminomethyl)-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-3-amine
CID 65377567
4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propylazepan-4-amine
CID 65378386
1-(chloromethyl)-3-methyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 65030471
N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-2-methylaniline
CID 107429092
1-(aminomethyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429492
[4-(oxolan-2-ylmethylamino)-1-propan-2-ylpiperidin-4-yl]methanol
CID 61047764
N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-3-chloroaniline
CID 107429079

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (CID 107429090) is 1-(aminomethyl)-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is CC(C)CC1CCCC(CN)(NCC2CCCO2)C1.
What is the InChIKey of 1-(aminomethyl)-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is QRMFNOOFIWPQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2)9-14-5-3-7-16(10-14,12-17)18-11-15-6-4-8-19-15/h13-15,18H,3-12,17H2,1-2H3.
What are the key properties of 1-(aminomethyl)-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
1-(aminomethyl)-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 107429090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).