7-[(2-hexyl-5-methylcyclopentyl)amino]heptanoic acid

C19H37NO2 — CID 54195114

IUPAC7-[(2-hexyl-5-methylcyclopentyl)amino]heptanoic acid
SMILESCCCCCCC1CCC(C)C1NCCCCCCC(=O)O
InChIInChI=1S/C19H37NO2/c1-3-4-5-8-11-17-14-13-16(2)19(17)20-15-10-7-6-9-12-18(21)22/h16-17,19-20H,3-15H2,1-2H3,(H,21,22)
InChIKeyPLGAYSRHODXKHV-UHFFFAOYSA-N
MW311.51 g/mol
LogP5.00
Rot. Bonds13

About 7-[(2-hexyl-5-methylcyclopentyl)amino]heptanoic acid

7-[(2-hexyl-5-methylcyclopentyl)amino]heptanoic acid (PubChem CID 54195114) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is 7-[(2-hexyl-5-methylcyclopentyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(2-hexyl-5-methylcyclopentyl)amino]heptanoic acid
PubChem CID54195114
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Name7-[(2-hexyl-5-methylcyclopentyl)amino]heptanoic acid
SMILESCCCCCCC1CCC(C)C1NCCCCCCC(=O)O
InChIInChI=1S/C19H37NO2/c1-3-4-5-8-11-17-14-13-16(2)19(17)20-15-10-7-6-9-12-18(21)22/h16-17,19-20H,3-15H2,1-2H3,(H,21,22)
InChIKeyPLGAYSRHODXKHV-UHFFFAOYSA-N
XLogP5.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 55.00
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

7-[(1S)-2-(heptylamino)cyclopentyl]heptanoic acid
CID 10041163
8-[3-(7-carboxyheptyl)-4-hexyl-2-octylcyclohexyl]octanoic acid
CID 58224535
7-[2-(hexylamino)-6-methylcyclohexyl]heptanoic acid
CID 67932357
8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid
CID 14345320
8-[3-(7-carboxyheptyl)-2-heptyl-4-hexylcyclohexyl]octanoic acid;methanediol
CID 91189495
7-(4-octyloxolan-3-yl)heptanoic acid
CID 53463626
10-(2-butylcyclopropyl)decanoic acid
CID 71374776
hexadecanoic acid;1,2,4-trimethylcyclohexane
CID 158194020
CID 57488644
CID 57488644
(1S,2S,3R)-2-(hexylamino)-3-tetradecylcyclohexan-1-ol
CID 24936442
docosanoic acid;2-methyloxirane
CID 159912767
12-(pentylamino)dodecanoic acid
CID 57245176

Frequently Asked Questions

What is the IUPAC name of 7-[(2-hexyl-5-methylcyclopentyl)amino]heptanoic acid?
The IUPAC name of 7-[(2-hexyl-5-methylcyclopentyl)amino]heptanoic acid (CID 54195114) is 7-[(2-hexyl-5-methylcyclopentyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(2-hexyl-5-methylcyclopentyl)amino]heptanoic acid?
The canonical SMILES for 7-[(2-hexyl-5-methylcyclopentyl)amino]heptanoic acid is CCCCCCC1CCC(C)C1NCCCCCCC(=O)O.
What is the InChIKey of 7-[(2-hexyl-5-methylcyclopentyl)amino]heptanoic acid?
The InChIKey is PLGAYSRHODXKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2/c1-3-4-5-8-11-17-14-13-16(2)19(17)20-15-10-7-6-9-12-18(21)22/h16-17,19-20H,3-15H2,1-2H3,(H,21,22).
What are the key properties of 7-[(2-hexyl-5-methylcyclopentyl)amino]heptanoic acid?
7-[(2-hexyl-5-methylcyclopentyl)amino]heptanoic acid has a molecular weight of 311.51 g/mol, XLogP of 5.00, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-hexyl-5-methylcyclopentyl)amino]heptanoic acid is sourced from PubChem (CID 54195114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).