N-[(4-ethylcyclohexyl)methyl]-2,6-dimethylheptan-4-amine

C18H37N — CID 63451824

IUPACN-[(4-ethylcyclohexyl)methyl]-2,6-dimethylheptan-4-amine
SMILESCCC1CCC(CNC(CC(C)C)CC(C)C)CC1
InChIInChI=1S/C18H37N/c1-6-16-7-9-17(10-8-16)13-19-18(11-14(2)3)12-15(4)5/h14-19H,6-13H2,1-5H3
InChIKeyNKKARBDOKOCGGW-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.25
Rot. Bonds8

About N-[(4-ethylcyclohexyl)methyl]-2,6-dimethylheptan-4-amine

N-[(4-ethylcyclohexyl)methyl]-2,6-dimethylheptan-4-amine (PubChem CID 63451824) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-2,6-dimethylheptan-4-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-2,6-dimethylheptan-4-amine
PubChem CID63451824
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-2,6-dimethylheptan-4-amine
SMILESCCC1CCC(CNC(CC(C)C)CC(C)C)CC1
InChIInChI=1S/C18H37N/c1-6-16-7-9-17(10-8-16)13-19-18(11-14(2)3)12-15(4)5/h14-19H,6-13H2,1-5H3
InChIKeyNKKARBDOKOCGGW-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-2,6-dimethylheptan-4-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-2,6-dimethylheptan-4-amine (CID 63451824) is N-[(4-ethylcyclohexyl)methyl]-2,6-dimethylheptan-4-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-2,6-dimethylheptan-4-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-2,6-dimethylheptan-4-amine is CCC1CCC(CNC(CC(C)C)CC(C)C)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-2,6-dimethylheptan-4-amine?
The InChIKey is NKKARBDOKOCGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-6-16-7-9-17(10-8-16)13-19-18(11-14(2)3)12-15(4)5/h14-19H,6-13H2,1-5H3.
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-2,6-dimethylheptan-4-amine?
N-[(4-ethylcyclohexyl)methyl]-2,6-dimethylheptan-4-amine has a molecular weight of 267.50 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-2,6-dimethylheptan-4-amine is sourced from PubChem (CID 63451824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).