3-ethyl-1-(4-ethylcyclohexyl)-N-methylheptan-1-amine

C18H37N — CID 65392509

IUPAC3-ethyl-1-(4-ethylcyclohexyl)-N-methylheptan-1-amine
SMILESCCCCC(CC)CC(NC)C1CCC(CC)CC1
InChIInChI=1S/C18H37N/c1-5-8-9-16(7-3)14-18(19-4)17-12-10-15(6-2)11-13-17/h15-19H,5-14H2,1-4H3
InChIKeyCZSONLGQMGDLRC-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.40
Rot. Bonds9

About 3-ethyl-1-(4-ethylcyclohexyl)-N-methylheptan-1-amine

3-ethyl-1-(4-ethylcyclohexyl)-N-methylheptan-1-amine (PubChem CID 65392509) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 3-ethyl-1-(4-ethylcyclohexyl)-N-methylheptan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-(4-ethylcyclohexyl)-N-methylheptan-1-amine
PubChem CID65392509
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name3-ethyl-1-(4-ethylcyclohexyl)-N-methylheptan-1-amine
SMILESCCCCC(CC)CC(NC)C1CCC(CC)CC1
InChIInChI=1S/C18H37N/c1-5-8-9-16(7-3)14-18(19-4)17-12-10-15(6-2)11-13-17/h15-19H,5-14H2,1-4H3
InChIKeyCZSONLGQMGDLRC-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-dimethylcyclohexyl)-3-ethyl-N-methylheptan-1-amine
CID 65391623
1-cyclopropyl-3-ethyl-N-methylpentan-1-amine
CID 82922957
1-cyclopropyl-3-ethyl-N-propylheptan-1-amine
CID 63413488
[3-ethyl-1-(4-methylcyclohexyl)heptyl]hydrazine
CID 105210540
1-cyclobutyl-N,3-diethylheptan-1-amine
CID 64987044
3-ethyl-N-methyl-1-(2-methylcyclopentyl)heptan-1-amine
CID 107187935
1-(4-ethylcyclohexyl)pentylhydrazine
CID 105231359
1-(4-ethylcyclohexyl)-N-propan-2-ylpentan-1-amine
CID 79411773
1-(4-ethylcyclohexyl)-N-methylpent-4-yn-1-amine
CID 65393747
1-cyclopentyl-5-ethyl-N-methylnonan-3-amine
CID 115806235
N-methyl-1-(4-methylcyclohexyl)pentan-1-amine
CID 62604529
1-(4-ethylcyclohexyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346285

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-ethylcyclohexyl)-N-methylheptan-1-amine?
The IUPAC name of 3-ethyl-1-(4-ethylcyclohexyl)-N-methylheptan-1-amine (CID 65392509) is 3-ethyl-1-(4-ethylcyclohexyl)-N-methylheptan-1-amine.
What is the SMILES notation for 3-ethyl-1-(4-ethylcyclohexyl)-N-methylheptan-1-amine?
The canonical SMILES for 3-ethyl-1-(4-ethylcyclohexyl)-N-methylheptan-1-amine is CCCCC(CC)CC(NC)C1CCC(CC)CC1.
What is the InChIKey of 3-ethyl-1-(4-ethylcyclohexyl)-N-methylheptan-1-amine?
The InChIKey is CZSONLGQMGDLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-5-8-9-16(7-3)14-18(19-4)17-12-10-15(6-2)11-13-17/h15-19H,5-14H2,1-4H3.
What are the key properties of 3-ethyl-1-(4-ethylcyclohexyl)-N-methylheptan-1-amine?
3-ethyl-1-(4-ethylcyclohexyl)-N-methylheptan-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.40, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-ethylcyclohexyl)-N-methylheptan-1-amine is sourced from PubChem (CID 65392509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).