8-amino-3-cyclohexyl-4-ethyloctanoic acid

C16H31NO2 — CID 21327818

IUPAC8-amino-3-cyclohexyl-4-ethyloctanoic acid
SMILESCCC(CCCCN)C(CC(=O)O)C1CCCCC1
InChIInChI=1S/C16H31NO2/c1-2-13(8-6-7-11-17)15(12-16(18)19)14-9-4-3-5-10-14/h13-15H,2-12,17H2,1H3,(H,18,19)
InChIKeyNSWMUJMEPZYNAG-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.81
Rot. Bonds9

About 8-amino-3-cyclohexyl-4-ethyloctanoic acid

8-amino-3-cyclohexyl-4-ethyloctanoic acid (PubChem CID 21327818) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 8-amino-3-cyclohexyl-4-ethyloctanoic acid.

Molecular Properties

Compound Name8-amino-3-cyclohexyl-4-ethyloctanoic acid
PubChem CID21327818
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name8-amino-3-cyclohexyl-4-ethyloctanoic acid
SMILESCCC(CCCCN)C(CC(=O)O)C1CCCCC1
InChIInChI=1S/C16H31NO2/c1-2-13(8-6-7-11-17)15(12-16(18)19)14-9-4-3-5-10-14/h13-15H,2-12,17H2,1H3,(H,18,19)
InChIKeyNSWMUJMEPZYNAG-UHFFFAOYSA-N
XLogP3.81
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-cyclopentylpentanoic acid
CID 66096453
3,4-diethylnonanedioic acid
CID 89315714
(3R)-4-amino-3-cyclohexylbutanoic acid
CID 8000611
6,6-di(cyclododecyl)hexan-1-amine
CID 139722642
8-amino-4-cycloheptyl-1-hydroxyoctan-3-one
CID 170197479
5-amino-N-cycloheptyl-2-ethylpentanamide
CID 112515741
3-cyclohexyl-3-fluoropropanoic acid
CID 105435814
N-[7-amino-1-(dimethyl-λ4-sulfanylidene)-2-oxoheptan-3-yl]cyclopentanecarboxamide
CID 142307561
4-amino-3-cyclopentylbutanoic acid
CID 10130168
10-amino-3-methyldecanoic acid
CID 2832731
6-amino-N-(1-cyclohexylethyl)hexanamide
CID 55069317
5-amino-N-[(1S)-1-cycloheptylethyl]-2-methylpentanamide
CID 104685410

Frequently Asked Questions

What is the IUPAC name of 8-amino-3-cyclohexyl-4-ethyloctanoic acid?
The IUPAC name of 8-amino-3-cyclohexyl-4-ethyloctanoic acid (CID 21327818) is 8-amino-3-cyclohexyl-4-ethyloctanoic acid.
What is the SMILES notation for 8-amino-3-cyclohexyl-4-ethyloctanoic acid?
The canonical SMILES for 8-amino-3-cyclohexyl-4-ethyloctanoic acid is CCC(CCCCN)C(CC(=O)O)C1CCCCC1.
What is the InChIKey of 8-amino-3-cyclohexyl-4-ethyloctanoic acid?
The InChIKey is NSWMUJMEPZYNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-2-13(8-6-7-11-17)15(12-16(18)19)14-9-4-3-5-10-14/h13-15H,2-12,17H2,1H3,(H,18,19).
What are the key properties of 8-amino-3-cyclohexyl-4-ethyloctanoic acid?
8-amino-3-cyclohexyl-4-ethyloctanoic acid has a molecular weight of 269.43 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-cyclohexyl-4-ethyloctanoic acid is sourced from PubChem (CID 21327818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).