2-[[cyclobutylmethyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-amine

C16H32N2 — CID 107401528

IUPAC2-[[cyclobutylmethyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(CN(CC)CC2CCC2)C1
InChIInChI=1S/C16H32N2/c1-3-13-8-9-16(17)15(10-13)12-18(4-2)11-14-6-5-7-14/h13-16H,3-12,17H2,1-2H3
InChIKeyATJMTYVBRXHWCU-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.26
Rot. Bonds6

About 2-[[cyclobutylmethyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-amine

2-[[cyclobutylmethyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-amine (PubChem CID 107401528) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-[[cyclobutylmethyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[cyclobutylmethyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-amine
PubChem CID107401528
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-[[cyclobutylmethyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(CN(CC)CC2CCC2)C1
InChIInChI=1S/C16H32N2/c1-3-13-8-9-16(17)15(10-13)12-18(4-2)11-14-6-5-7-14/h13-16H,3-12,17H2,1-2H3
InChIKeyATJMTYVBRXHWCU-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[bis(prop-2-enyl)amino]methyl]-4-ethylcyclohexan-1-amine
CID 55093744
3-(diethylaminomethyl)cyclohexan-1-amine
CID 63045933
2-N-(cyclopentylmethyl)-4-ethyl-2-N-methylcyclohexane-1,2-diamine
CID 63632460
4-ethyl-2-[[methyl(pentan-3-yl)amino]methyl]cyclohexan-1-amine
CID 62616277
ethane;3-ethylcyclohexan-1-amine
CID 164855900
2-[(2-amino-5-ethylcyclohexyl)methyl-(2-methoxyethyl)amino]ethanol
CID 113468089
2-N-(cyclopropylmethyl)-2-N,4-diethylcyclohexane-1,2-diamine
CID 63955967
2-[(2-amino-5-ethylcyclohexyl)methyl-methylamino]ethanol
CID 62610999
2-N,4-diethyl-2-N-methylcyclohexane-1,2-diamine
CID 43263387
N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-(cyclobutylmethyl)ethanamine
CID 107399411
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-amine
CID 62609264
2-[[cyclopropylmethyl(ethyl)amino]methyl]cyclohexan-1-ol
CID 63938716

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclobutylmethyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-amine?
The IUPAC name of 2-[[cyclobutylmethyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-amine (CID 107401528) is 2-[[cyclobutylmethyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-[[cyclobutylmethyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-amine?
The canonical SMILES for 2-[[cyclobutylmethyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-amine is CCC1CCC(N)C(CN(CC)CC2CCC2)C1.
What is the InChIKey of 2-[[cyclobutylmethyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-amine?
The InChIKey is ATJMTYVBRXHWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-13-8-9-16(17)15(10-13)12-18(4-2)11-14-6-5-7-14/h13-16H,3-12,17H2,1-2H3.
What are the key properties of 2-[[cyclobutylmethyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-amine?
2-[[cyclobutylmethyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclobutylmethyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 107401528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).