1-(aminomethyl)-N,N-dibutyl-2,4,4-trimethylcyclohexan-1-amine

C18H38N2 — CID 81321456

IUPAC1-(aminomethyl)-N,N-dibutyl-2,4,4-trimethylcyclohexan-1-amine
SMILESCCCCN(CCCC)C1(CN)CCC(C)(C)CC1C
InChIInChI=1S/C18H38N2/c1-6-8-12-20(13-9-7-2)18(15-19)11-10-17(4,5)14-16(18)3/h16H,6-15,19H2,1-5H3
InChIKeyHEYQZNUTFBLOKL-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.43
Rot. Bonds8

About 1-(aminomethyl)-N,N-dibutyl-2,4,4-trimethylcyclohexan-1-amine

1-(aminomethyl)-N,N-dibutyl-2,4,4-trimethylcyclohexan-1-amine (PubChem CID 81321456) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 1-(aminomethyl)-N,N-dibutyl-2,4,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,N-dibutyl-2,4,4-trimethylcyclohexan-1-amine
PubChem CID81321456
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name1-(aminomethyl)-N,N-dibutyl-2,4,4-trimethylcyclohexan-1-amine
SMILESCCCCN(CCCC)C1(CN)CCC(C)(C)CC1C
InChIInChI=1S/C18H38N2/c1-6-8-12-20(13-9-7-2)18(15-19)11-10-17(4,5)14-16(18)3/h16H,6-15,19H2,1-5H3
InChIKeyHEYQZNUTFBLOKL-UHFFFAOYSA-N
XLogP4.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-2,4,4-trimethyl-N-propan-2-yl-N-propylcyclohexan-1-amine
CID 81320581
1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,4,4-trimethylcyclohexan-1-amine
CID 81320666
3-(aminomethyl)-N-butyl-N-ethyl-2-methyloxolan-3-amine
CID 82717384
1-(aminomethyl)-N-butan-2-yl-N-butyl-2,4,4-trimethylcyclopentan-1-amine
CID 106663071
3-(aminomethyl)-N,N-dibutyl-4-methylthiolan-3-amine
CID 114285201
1-(aminomethyl)-N-(2-methoxyethyl)-2,4,4-trimethyl-N-propan-2-ylcyclohexan-1-amine
CID 82949049
1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclohexan-1-amine
CID 81321382
1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,4,4-tetramethylcyclohexan-1-amine
CID 81303824
1-(aminomethyl)-N-butyl-N-cyclopropyl-2-methylcyclopentan-1-amine
CID 65044786
2,4,4-trimethyl-1-octylcyclohexan-1-ol
CID 81315445
3-(aminomethyl)-N-butan-2-yl-N-butyl-2-methyloxolan-3-amine
CID 82717640
3-(aminomethyl)-N-butyl-N-ethyl-5-methylthiolan-3-amine
CID 79950939

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,N-dibutyl-2,4,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,N-dibutyl-2,4,4-trimethylcyclohexan-1-amine (CID 81321456) is 1-(aminomethyl)-N,N-dibutyl-2,4,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,N-dibutyl-2,4,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,N-dibutyl-2,4,4-trimethylcyclohexan-1-amine is CCCCN(CCCC)C1(CN)CCC(C)(C)CC1C.
What is the InChIKey of 1-(aminomethyl)-N,N-dibutyl-2,4,4-trimethylcyclohexan-1-amine?
The InChIKey is HEYQZNUTFBLOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-6-8-12-20(13-9-7-2)18(15-19)11-10-17(4,5)14-16(18)3/h16H,6-15,19H2,1-5H3.
What are the key properties of 1-(aminomethyl)-N,N-dibutyl-2,4,4-trimethylcyclohexan-1-amine?
1-(aminomethyl)-N,N-dibutyl-2,4,4-trimethylcyclohexan-1-amine has a molecular weight of 282.52 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,N-dibutyl-2,4,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 81321456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).