2-(aminomethyl)-N-cyclopropyl-5-ethyl-N-(2-methylpropyl)cyclohexan-1-amine

C16H32N2 — CID 55002153

IUPAC2-(aminomethyl)-N-cyclopropyl-5-ethyl-N-(2-methylpropyl)cyclohexan-1-amine
SMILESCCC1CCC(CN)C(N(CC(C)C)C2CC2)C1
InChIInChI=1S/C16H32N2/c1-4-13-5-6-14(10-17)16(9-13)18(11-12(2)3)15-7-8-15/h12-16H,4-11,17H2,1-3H3
InChIKeyZEQQIOWUZUQAMM-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.26
Rot. Bonds6

About 2-(aminomethyl)-N-cyclopropyl-5-ethyl-N-(2-methylpropyl)cyclohexan-1-amine

2-(aminomethyl)-N-cyclopropyl-5-ethyl-N-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 55002153) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopropyl-5-ethyl-N-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopropyl-5-ethyl-N-(2-methylpropyl)cyclohexan-1-amine
PubChem CID55002153
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-(aminomethyl)-N-cyclopropyl-5-ethyl-N-(2-methylpropyl)cyclohexan-1-amine
SMILESCCC1CCC(CN)C(N(CC(C)C)C2CC2)C1
InChIInChI=1S/C16H32N2/c1-4-13-5-6-14(10-17)16(9-13)18(11-12(2)3)15-7-8-15/h12-16H,4-11,17H2,1-3H3
InChIKeyZEQQIOWUZUQAMM-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-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 80999541
2-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)cycloheptan-1-amine
CID 55002106
2-(aminomethyl)-5-ethyl-N-methyl-N-propan-2-ylcyclohexan-1-amine
CID 43293397
2-(aminomethyl)-5-ethyl-N-methyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine
CID 43569707
2-N-cyclopropyl-4-ethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine
CID 78974066
2-(aminomethyl)-N-cyclohexyl-5-ethyl-N-methylcyclohexan-1-amine
CID 43329364
N-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylcycloheptanamine
CID 43613832
[4-ethyl-2-(2-methylpropyl)cyclohexyl]methanamine
CID 81009989
4-ethyl-2-N-(2-methylpropyl)-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 54999761
3-[cyclopropyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol
CID 165492179
2-(aminomethyl)-N-butan-2-yl-5-ethyl-N-(2-methoxyethyl)cyclohexan-1-amine
CID 55001186
2-(aminomethyl)-N-(cyclopropylmethyl)-5-ethyl-N-propylcyclohexan-1-amine
CID 43478976

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopropyl-5-ethyl-N-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-cyclopropyl-5-ethyl-N-(2-methylpropyl)cyclohexan-1-amine (CID 55002153) is 2-(aminomethyl)-N-cyclopropyl-5-ethyl-N-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopropyl-5-ethyl-N-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-cyclopropyl-5-ethyl-N-(2-methylpropyl)cyclohexan-1-amine is CCC1CCC(CN)C(N(CC(C)C)C2CC2)C1.
What is the InChIKey of 2-(aminomethyl)-N-cyclopropyl-5-ethyl-N-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is ZEQQIOWUZUQAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-13-5-6-14(10-17)16(9-13)18(11-12(2)3)15-7-8-15/h12-16H,4-11,17H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-cyclopropyl-5-ethyl-N-(2-methylpropyl)cyclohexan-1-amine?
2-(aminomethyl)-N-cyclopropyl-5-ethyl-N-(2-methylpropyl)cyclohexan-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-(aminomethyl)-N-cyclopropyl-5-ethyl-N-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 55002153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).