4-(pentylamino)cyclohexane-1-carboxylic acid

C12H23NO2 — CID 60810044

IUPAC4-(pentylamino)cyclohexane-1-carboxylic acid
SMILESCCCCCNC1CCC(C(=O)O)CC1
InChIInChI=1S/C12H23NO2/c1-2-3-4-9-13-11-7-5-10(6-8-11)12(14)15/h10-11,13H,2-9H2,1H3,(H,14,15)
InChIKeyFTSBXPPQMURRHQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.41
Rot. Bonds6

About 4-(pentylamino)cyclohexane-1-carboxylic acid

4-(pentylamino)cyclohexane-1-carboxylic acid (PubChem CID 60810044) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-(pentylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(pentylamino)cyclohexane-1-carboxylic acid
PubChem CID60810044
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-(pentylamino)cyclohexane-1-carboxylic acid
SMILESCCCCCNC1CCC(C(=O)O)CC1
InChIInChI=1S/C12H23NO2/c1-2-3-4-9-13-11-7-5-10(6-8-11)12(14)15/h10-11,13H,2-9H2,1H3,(H,14,15)
InChIKeyFTSBXPPQMURRHQ-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.41
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

cyclohexane-1,4-dicarboxylic acid;octane
CID 174889638
3-(hexylamino)cyclohexane-1-carboxylic acid
CID 63043531
4-chloro-N-hexylcyclohexan-1-amine
CID 65024365
4-chloro-N-octylcyclohexan-1-amine
CID 65023952
4-chloro-N-decylcyclohexan-1-amine
CID 65024074
4-(hept-6-enylamino)cyclohexane-1-carboxylic acid
CID 107007791
4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid
CID 122030961
N'-cyclopropyl-N-decylpropane-1,3-diamine
CID 113410376
1-[4-(hexylamino)piperidin-1-yl]ethanone
CID 43222793
N-pentyl-4-propan-2-ylcyclohexan-1-amine
CID 63418461
N-decyl-4-ethylcyclohexan-1-amine
CID 63492402
cyclopropanecarboxylic acid;decan-1-amine
CID 157428816

Frequently Asked Questions

What is the IUPAC name of 4-(pentylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(pentylamino)cyclohexane-1-carboxylic acid (CID 60810044) is 4-(pentylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(pentylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(pentylamino)cyclohexane-1-carboxylic acid is CCCCCNC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(pentylamino)cyclohexane-1-carboxylic acid?
The InChIKey is FTSBXPPQMURRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-3-4-9-13-11-7-5-10(6-8-11)12(14)15/h10-11,13H,2-9H2,1H3,(H,14,15).
What are the key properties of 4-(pentylamino)cyclohexane-1-carboxylic acid?
4-(pentylamino)cyclohexane-1-carboxylic acid has a molecular weight of 213.32 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60810044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).