1-(4,4-dimethylcyclohexyl)-3-ethyl-N-methylheptan-1-amine

C18H37N — CID 65391623

IUPAC1-(4,4-dimethylcyclohexyl)-3-ethyl-N-methylheptan-1-amine
SMILESCCCCC(CC)CC(NC)C1CCC(C)(C)CC1
InChIInChI=1S/C18H37N/c1-6-8-9-15(7-2)14-17(19-5)16-10-12-18(3,4)13-11-16/h15-17,19H,6-14H2,1-5H3
InChIKeyJJKNPUIDRAXCNU-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.40
Rot. Bonds8

About 1-(4,4-dimethylcyclohexyl)-3-ethyl-N-methylheptan-1-amine

1-(4,4-dimethylcyclohexyl)-3-ethyl-N-methylheptan-1-amine (PubChem CID 65391623) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-3-ethyl-N-methylheptan-1-amine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-3-ethyl-N-methylheptan-1-amine
PubChem CID65391623
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name1-(4,4-dimethylcyclohexyl)-3-ethyl-N-methylheptan-1-amine
SMILESCCCCC(CC)CC(NC)C1CCC(C)(C)CC1
InChIInChI=1S/C18H37N/c1-6-8-9-15(7-2)14-17(19-5)16-10-12-18(3,4)13-11-16/h15-17,19H,6-14H2,1-5H3
InChIKeyJJKNPUIDRAXCNU-UHFFFAOYSA-N
XLogP5.40
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 ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1-(4-ethylcyclohexyl)-N-methylheptan-1-amine
CID 65392509
1-(4,4-dimethylcyclohexyl)-N,3-dimethylpentan-1-amine
CID 65391816
1-(4,4-difluorocyclohexyl)-N,3-diethylheptan-1-amine
CID 105102951
1-cyclopropyl-3-ethyl-N-methylpentan-1-amine
CID 82922957
1-cyclobutyl-N,3-diethylheptan-1-amine
CID 64987044
1-cyclopropyl-3-ethyl-N-propylheptan-1-amine
CID 63413488
3-ethyl-N-methyl-1-(2-methylcyclopentyl)heptan-1-amine
CID 107187935
[3-ethyl-1-(4-methylcyclohexyl)heptyl]hydrazine
CID 105210540
3-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylheptan-1-amine
CID 116769495
1-(2,2-dimethylcyclopentyl)-N,3-diethylheptan-1-amine
CID 107187925
3-ethyl-N-methyl-1-(oxan-4-yl)pentan-1-amine
CID 82923429
1-(4,4-dimethylcyclohexyl)-N-propylhexan-1-amine
CID 65390648

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-3-ethyl-N-methylheptan-1-amine?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-3-ethyl-N-methylheptan-1-amine (CID 65391623) is 1-(4,4-dimethylcyclohexyl)-3-ethyl-N-methylheptan-1-amine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-3-ethyl-N-methylheptan-1-amine?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-3-ethyl-N-methylheptan-1-amine is CCCCC(CC)CC(NC)C1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-3-ethyl-N-methylheptan-1-amine?
The InChIKey is JJKNPUIDRAXCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-6-8-9-15(7-2)14-17(19-5)16-10-12-18(3,4)13-11-16/h15-17,19H,6-14H2,1-5H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-3-ethyl-N-methylheptan-1-amine?
1-(4,4-dimethylcyclohexyl)-3-ethyl-N-methylheptan-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-3-ethyl-N-methylheptan-1-amine is sourced from PubChem (CID 65391623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).