2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-amine

C16H34N2 — CID 62609264

IUPAC2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(CN(C)C(C)C(C)(C)C)C1
InChIInChI=1S/C16H34N2/c1-7-13-8-9-15(17)14(10-13)11-18(6)12(2)16(3,4)5/h12-15H,7-11,17H2,1-6H3
InChIKeySNKFKCTVPCQBQK-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.51
Rot. Bonds4

About 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-amine

2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-amine (PubChem CID 62609264) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-amine
PubChem CID62609264
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(CN(C)C(C)C(C)(C)C)C1
InChIInChI=1S/C16H34N2/c1-7-13-8-9-15(17)14(10-13)11-18(6)12(2)16(3,4)5/h12-15H,7-11,17H2,1-6H3
InChIKeySNKFKCTVPCQBQK-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 62608874
4-ethyl-2-[[methyl(pentan-3-yl)amino]methyl]cyclohexan-1-amine
CID 62616277
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N,4-diethylcyclohexan-1-amine
CID 63493475
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63493665
2-[(2-amino-5-ethylcyclohexyl)methyl-methylamino]ethanol
CID 62610999
4-ethyl-2-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 16781866
4-ethyl-2-(propan-2-yloxymethyl)cyclohexan-1-amine
CID 81014934
2-[[cyclobutylmethyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-amine
CID 107401528
2-[[bis(prop-2-enyl)amino]methyl]-4-ethylcyclohexan-1-amine
CID 55093744
2-N,4-diethyl-2-N-methylcyclohexane-1,2-diamine
CID 43263387
N-[(2-amino-5-ethylcyclohexyl)methyl]-4-fluoro-N-methylaniline
CID 62609281
4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
CID 63980553

Frequently Asked Questions

What is the IUPAC name of 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-amine?
The IUPAC name of 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-amine (CID 62609264) is 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-amine?
The canonical SMILES for 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-amine is CCC1CCC(N)C(CN(C)C(C)C(C)(C)C)C1.
What is the InChIKey of 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-amine?
The InChIKey is SNKFKCTVPCQBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-13-8-9-15(17)14(10-13)11-18(6)12(2)16(3,4)5/h12-15H,7-11,17H2,1-6H3.
What are the key properties of 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-amine?
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 62609264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).