3-ethyl-1-(4-propylcyclohexyl)heptan-1-amine

C18H37N — CID 65423369

IUPAC3-ethyl-1-(4-propylcyclohexyl)heptan-1-amine
SMILESCCCCC(CC)CC(N)C1CCC(CCC)CC1
InChIInChI=1S/C18H37N/c1-4-7-9-15(6-3)14-18(19)17-12-10-16(8-5-2)11-13-17/h15-18H,4-14,19H2,1-3H3
InChIKeyMFIAVXFIJHIXNV-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.53
Rot. Bonds9

About 3-ethyl-1-(4-propylcyclohexyl)heptan-1-amine

3-ethyl-1-(4-propylcyclohexyl)heptan-1-amine (PubChem CID 65423369) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 3-ethyl-1-(4-propylcyclohexyl)heptan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-(4-propylcyclohexyl)heptan-1-amine
PubChem CID65423369
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name3-ethyl-1-(4-propylcyclohexyl)heptan-1-amine
SMILESCCCCC(CC)CC(N)C1CCC(CCC)CC1
InChIInChI=1S/C18H37N/c1-4-7-9-15(6-3)14-18(19)17-12-10-16(8-5-2)11-13-17/h15-18H,4-14,19H2,1-3H3
InChIKeyMFIAVXFIJHIXNV-UHFFFAOYSA-N
XLogP5.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-butylcyclohexyl)-3-ethylheptan-1-ol
CID 114981328
3-ethyl-1-(3-methylcyclohexyl)heptan-1-amine
CID 63414730
1-cyclopentyl-4-ethyloctan-2-amine
CID 115806470
1-(4-butylcyclohexyl)pent-4-yn-1-amine
CID 115859309
N-(2-ethylhexyl)-4-propylcyclohexan-1-amine
CID 43080495
cyclopropyl-(4-propylcyclohexyl)methanamine
CID 65424533
2-cyclopentyl-1-(4-propylcyclohexyl)ethanamine
CID 65424909
3-ethyl-1-(3-tricyclo[3.2.1.02,4]octanyl)heptan-1-amine
CID 114097337
3-ethyl-1-(4-ethylcyclohexyl)-N-methylheptan-1-amine
CID 65392509
3-ethyl-1-(thiolan-2-yl)heptan-1-amine
CID 80622703
1-cyclohexyl-3-ethylpentan-1-amine
CID 82920637
(4-butylcyclohexyl)-cyclopropylmethanamine
CID 104994185

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-propylcyclohexyl)heptan-1-amine?
The IUPAC name of 3-ethyl-1-(4-propylcyclohexyl)heptan-1-amine (CID 65423369) is 3-ethyl-1-(4-propylcyclohexyl)heptan-1-amine.
What is the SMILES notation for 3-ethyl-1-(4-propylcyclohexyl)heptan-1-amine?
The canonical SMILES for 3-ethyl-1-(4-propylcyclohexyl)heptan-1-amine is CCCCC(CC)CC(N)C1CCC(CCC)CC1.
What is the InChIKey of 3-ethyl-1-(4-propylcyclohexyl)heptan-1-amine?
The InChIKey is MFIAVXFIJHIXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-4-7-9-15(6-3)14-18(19)17-12-10-16(8-5-2)11-13-17/h15-18H,4-14,19H2,1-3H3.
What are the key properties of 3-ethyl-1-(4-propylcyclohexyl)heptan-1-amine?
3-ethyl-1-(4-propylcyclohexyl)heptan-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.53, 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-propylcyclohexyl)heptan-1-amine is sourced from PubChem (CID 65423369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).