3-ethyl-1-(3-methylcyclohexyl)heptan-1-amine

C16H33N — CID 63414730

IUPAC3-ethyl-1-(3-methylcyclohexyl)heptan-1-amine
SMILESCCCCC(CC)CC(N)C1CCCC(C)C1
InChIInChI=1S/C16H33N/c1-4-6-9-14(5-2)12-16(17)15-10-7-8-13(3)11-15/h13-16H,4-12,17H2,1-3H3
InChIKeyAKPVOUKIENGTCX-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.75
Rot. Bonds7

About 3-ethyl-1-(3-methylcyclohexyl)heptan-1-amine

3-ethyl-1-(3-methylcyclohexyl)heptan-1-amine (PubChem CID 63414730) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 3-ethyl-1-(3-methylcyclohexyl)heptan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-(3-methylcyclohexyl)heptan-1-amine
PubChem CID63414730
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name3-ethyl-1-(3-methylcyclohexyl)heptan-1-amine
SMILESCCCCC(CC)CC(N)C1CCCC(C)C1
InChIInChI=1S/C16H33N/c1-4-6-9-14(5-2)12-16(17)15-10-7-8-13(3)11-15/h13-16H,4-12,17H2,1-3H3
InChIKeyAKPVOUKIENGTCX-UHFFFAOYSA-N
XLogP4.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methylcyclohexyl)pentan-1-amine
CID 62603972
1-(3-methylcyclohexyl)hexan-1-amine
CID 55210427
3-methyl-1-(3-methylcyclohexyl)hexan-1-amine
CID 63414986
3-ethyl-1-(4-propylcyclohexyl)heptan-1-amine
CID 65423369
1-cyclopentyl-4-ethyloctan-2-amine
CID 115806470
1-(3-methylcyclohexyl)pent-4-yn-1-amine
CID 63655886
3-ethyl-1-(3-tricyclo[3.2.1.02,4]octanyl)heptan-1-amine
CID 114097337
1-cyclobutyl-N,3-diethylheptan-1-amine
CID 64987044
3-ethyl-1-(thiolan-2-yl)heptan-1-amine
CID 80622703
1-(3-methylcyclohexyl)but-3-yn-1-amine
CID 62233166
1-(3-methylcyclopentyl)butan-1-amine
CID 65414567
1-cyclohexyl-3-ethylpentan-1-amine
CID 82920637

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methylcyclohexyl)heptan-1-amine?
The IUPAC name of 3-ethyl-1-(3-methylcyclohexyl)heptan-1-amine (CID 63414730) is 3-ethyl-1-(3-methylcyclohexyl)heptan-1-amine.
What is the SMILES notation for 3-ethyl-1-(3-methylcyclohexyl)heptan-1-amine?
The canonical SMILES for 3-ethyl-1-(3-methylcyclohexyl)heptan-1-amine is CCCCC(CC)CC(N)C1CCCC(C)C1.
What is the InChIKey of 3-ethyl-1-(3-methylcyclohexyl)heptan-1-amine?
The InChIKey is AKPVOUKIENGTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-4-6-9-14(5-2)12-16(17)15-10-7-8-13(3)11-15/h13-16H,4-12,17H2,1-3H3.
What are the key properties of 3-ethyl-1-(3-methylcyclohexyl)heptan-1-amine?
3-ethyl-1-(3-methylcyclohexyl)heptan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methylcyclohexyl)heptan-1-amine is sourced from PubChem (CID 63414730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).