2-N-(cyclopentylmethyl)-4-ethyl-2-N-methylcyclohexane-1,2-diamine

C15H30N2 — CID 63632460

IUPAC2-N-(cyclopentylmethyl)-4-ethyl-2-N-methylcyclohexane-1,2-diamine
SMILESCCC1CCC(N)C(N(C)CC2CCCC2)C1
InChIInChI=1S/C15H30N2/c1-3-12-8-9-14(16)15(10-12)17(2)11-13-6-4-5-7-13/h12-15H,3-11,16H2,1-2H3
InChIKeyDDULAYHFMJQRHT-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.01
Rot. Bonds4

About 2-N-(cyclopentylmethyl)-4-ethyl-2-N-methylcyclohexane-1,2-diamine

2-N-(cyclopentylmethyl)-4-ethyl-2-N-methylcyclohexane-1,2-diamine (PubChem CID 63632460) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2-N-(cyclopentylmethyl)-4-ethyl-2-N-methylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopentylmethyl)-4-ethyl-2-N-methylcyclohexane-1,2-diamine
PubChem CID63632460
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2-N-(cyclopentylmethyl)-4-ethyl-2-N-methylcyclohexane-1,2-diamine
SMILESCCC1CCC(N)C(N(C)CC2CCCC2)C1
InChIInChI=1S/C15H30N2/c1-3-12-8-9-14(16)15(10-12)17(2)11-13-6-4-5-7-13/h12-15H,3-11,16H2,1-2H3
InChIKeyDDULAYHFMJQRHT-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,4-diethyl-2-N-methylcyclohexane-1,2-diamine
CID 43263387
4-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine
CID 63275638
2-N-(cyclopropylmethyl)-2-N,4-diethylcyclohexane-1,2-diamine
CID 63955967
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-4-propylcyclohexane-1,2-diamine
CID 63233108
4-ethyl-2-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 16781866
2-[cyclopropylmethyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile
CID 55026446
4-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
CID 61420139
4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
CID 63980553
4-ethyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]cyclohexane-1,2-diamine
CID 61438178
2-[[cyclobutylmethyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-amine
CID 107401528
2-(aminomethyl)-5-ethyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 61431165
2-N,4-diethyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 43265755

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopentylmethyl)-4-ethyl-2-N-methylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-(cyclopentylmethyl)-4-ethyl-2-N-methylcyclohexane-1,2-diamine (CID 63632460) is 2-N-(cyclopentylmethyl)-4-ethyl-2-N-methylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopentylmethyl)-4-ethyl-2-N-methylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopentylmethyl)-4-ethyl-2-N-methylcyclohexane-1,2-diamine is CCC1CCC(N)C(N(C)CC2CCCC2)C1.
What is the InChIKey of 2-N-(cyclopentylmethyl)-4-ethyl-2-N-methylcyclohexane-1,2-diamine?
The InChIKey is DDULAYHFMJQRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-12-8-9-14(16)15(10-12)17(2)11-13-6-4-5-7-13/h12-15H,3-11,16H2,1-2H3.
What are the key properties of 2-N-(cyclopentylmethyl)-4-ethyl-2-N-methylcyclohexane-1,2-diamine?
2-N-(cyclopentylmethyl)-4-ethyl-2-N-methylcyclohexane-1,2-diamine has a molecular weight of 238.42 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopentylmethyl)-4-ethyl-2-N-methylcyclohexane-1,2-diamine is sourced from PubChem (CID 63632460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).