2-(aminomethyl)-N-butan-2-yl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine

C18H38N2 — CID 43293755

IUPAC2-(aminomethyl)-N-butan-2-yl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)N(CC)C1CC(C(C)(C)CC)CCC1CN
InChIInChI=1S/C18H38N2/c1-7-14(4)20(9-3)17-12-16(18(5,6)8-2)11-10-15(17)13-19/h14-17H,7-13,19H2,1-6H3
InChIKeyYOOYDGYLGZKPAK-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.29
Rot. Bonds7

About 2-(aminomethyl)-N-butan-2-yl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine

2-(aminomethyl)-N-butan-2-yl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 43293755) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 2-(aminomethyl)-N-butan-2-yl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-butan-2-yl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID43293755
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name2-(aminomethyl)-N-butan-2-yl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)N(CC)C1CC(C(C)(C)CC)CCC1CN
InChIInChI=1S/C18H38N2/c1-7-14(4)20(9-3)17-12-16(18(5,6)8-2)11-10-15(17)13-19/h14-17H,7-13,19H2,1-6H3
InChIKeyYOOYDGYLGZKPAK-UHFFFAOYSA-N
XLogP4.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-butan-2-yl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-butan-2-yl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine (CID 43293755) is 2-(aminomethyl)-N-butan-2-yl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-butan-2-yl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-butan-2-yl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine is CCC(C)N(CC)C1CC(C(C)(C)CC)CCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-butan-2-yl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is YOOYDGYLGZKPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-7-14(4)20(9-3)17-12-16(18(5,6)8-2)11-10-15(17)13-19/h14-17H,7-13,19H2,1-6H3.
What are the key properties of 2-(aminomethyl)-N-butan-2-yl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine?
2-(aminomethyl)-N-butan-2-yl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 282.52 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-butan-2-yl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 43293755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).