4-[[2-(3-methylbutyl)cyclopentyl]amino]cyclohexane-1-carboxylic acid

C17H31NO2 — CID 122031002

IUPAC4-[[2-(3-methylbutyl)cyclopentyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)CCC1CCCC1NC1CCC(C(=O)O)CC1
InChIInChI=1S/C17H31NO2/c1-12(2)6-7-13-4-3-5-16(13)18-15-10-8-14(9-11-15)17(19)20/h12-16,18H,3-11H2,1-2H3,(H,19,20)
InChIKeyPHUWFARNMGUAOO-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.82
Rot. Bonds6

About 4-[[2-(3-methylbutyl)cyclopentyl]amino]cyclohexane-1-carboxylic acid

4-[[2-(3-methylbutyl)cyclopentyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122031002) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-[[2-(3-methylbutyl)cyclopentyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(3-methylbutyl)cyclopentyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122031002
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name4-[[2-(3-methylbutyl)cyclopentyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)CCC1CCCC1NC1CCC(C(=O)O)CC1
InChIInChI=1S/C17H31NO2/c1-12(2)6-7-13-4-3-5-16(13)18-15-10-8-14(9-11-15)17(19)20/h12-16,18H,3-11H2,1-2H3,(H,19,20)
InChIKeyPHUWFARNMGUAOO-UHFFFAOYSA-N
XLogP3.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-(3-methylbutyl)cyclopentan-1-amine
CID 115704595
2-(cyclopropylmethylamino)-N-[2-(3-methylbutyl)cyclopentyl]acetamide
CID 119771682
2-(3-methylbutyl)-N-propylcyclopentan-1-amine
CID 61381970
4-(5-methylhexanoylamino)cyclohexane-1-carboxylic acid
CID 115277307
[2-(cyclopropylamino)cyclopentyl]methanol
CID 83863384
4-[(2,5-dimethylcyclohexyl)amino]cyclohexane-1-carboxylic acid
CID 65055017
3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66030515
2-methylpropyl 4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]piperidine-1-carboxylate
CID 97056288
5-(cyclohexylamino)-1-(2-methylpropyl)piperidine-3-carboxylic acid
CID 83999077
4-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122024567
trans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 58431127
N-[[2-(3-methylbutyl)cyclopentyl]methyl]propan-2-amine
CID 81034843

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-methylbutyl)cyclopentyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(3-methylbutyl)cyclopentyl]amino]cyclohexane-1-carboxylic acid (CID 122031002) is 4-[[2-(3-methylbutyl)cyclopentyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(3-methylbutyl)cyclopentyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(3-methylbutyl)cyclopentyl]amino]cyclohexane-1-carboxylic acid is CC(C)CCC1CCCC1NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-(3-methylbutyl)cyclopentyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is PHUWFARNMGUAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-12(2)6-7-13-4-3-5-16(13)18-15-10-8-14(9-11-15)17(19)20/h12-16,18H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 4-[[2-(3-methylbutyl)cyclopentyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-(3-methylbutyl)cyclopentyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 281.44 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-methylbutyl)cyclopentyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122031002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).