5-[(3,5-dimethylcyclohexyl)amino]pentanoic acid

C13H25NO2 — CID 103254539

IUPAC5-[(3,5-dimethylcyclohexyl)amino]pentanoic acid
SMILESCC1CC(C)CC(NCCCCC(=O)O)C1
InChIInChI=1S/C13H25NO2/c1-10-7-11(2)9-12(8-10)14-6-4-3-5-13(15)16/h10-12,14H,3-9H2,1-2H3,(H,15,16)
InChIKeyLMDMDPCTMJKLEL-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.66
Rot. Bonds6

About 5-[(3,5-dimethylcyclohexyl)amino]pentanoic acid

5-[(3,5-dimethylcyclohexyl)amino]pentanoic acid (PubChem CID 103254539) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 5-[(3,5-dimethylcyclohexyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(3,5-dimethylcyclohexyl)amino]pentanoic acid
PubChem CID103254539
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name5-[(3,5-dimethylcyclohexyl)amino]pentanoic acid
SMILESCC1CC(C)CC(NCCCCC(=O)O)C1
InChIInChI=1S/C13H25NO2/c1-10-7-11(2)9-12(8-10)14-6-4-3-5-13(15)16/h10-12,14H,3-9H2,1-2H3,(H,15,16)
InChIKeyLMDMDPCTMJKLEL-UHFFFAOYSA-N
XLogP2.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.66
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

5-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64732933
4-[(3,5-dimethylcyclohexyl)amino]butan-1-ol
CID 64731694
3-[[(3R,5S)-3,5-dimethylcyclohexyl]amino]propan-1-ol
CID 96732218
6-[(3,5-dimethylcyclohexyl)amino]-4-methylhexanoic acid
CID 65289656
N-heptyl-3,5-dimethylcyclohexan-1-amine
CID 64731854
5-[(4-ethylcyclohexyl)amino]pentanoic acid
CID 103243784
5-[(3-ethylcyclohexyl)amino]pentanoic acid
CID 103253769
N-dodecyl-3-methylcyclobutan-1-amine
CID 113467183
5-[(2,6-dimethyloxan-4-yl)amino]pentanamide
CID 106234819
N-(3-ethylsulfonylpropyl)-3,5-dimethylcyclohexan-1-amine
CID 65093543
5-[(3,5-dimethylcyclohexyl)amino]pentanenitrile
CID 64734426
5-[(2-methylcyclopentyl)amino]pentanoic acid
CID 103251309

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylcyclohexyl)amino]pentanoic acid?
The IUPAC name of 5-[(3,5-dimethylcyclohexyl)amino]pentanoic acid (CID 103254539) is 5-[(3,5-dimethylcyclohexyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(3,5-dimethylcyclohexyl)amino]pentanoic acid?
The canonical SMILES for 5-[(3,5-dimethylcyclohexyl)amino]pentanoic acid is CC1CC(C)CC(NCCCCC(=O)O)C1.
What is the InChIKey of 5-[(3,5-dimethylcyclohexyl)amino]pentanoic acid?
The InChIKey is LMDMDPCTMJKLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10-7-11(2)9-12(8-10)14-6-4-3-5-13(15)16/h10-12,14H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 5-[(3,5-dimethylcyclohexyl)amino]pentanoic acid?
5-[(3,5-dimethylcyclohexyl)amino]pentanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylcyclohexyl)amino]pentanoic acid is sourced from PubChem (CID 103254539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).