3-(2-aminopentanoylamino)cyclohexane-1-carboxamide

C12H23N3O2 — CID 119309150

IUPAC3-(2-aminopentanoylamino)cyclohexane-1-carboxamide
SMILESCCCC(N)C(=O)NC1CCCC(C(N)=O)C1
InChIInChI=1S/C12H23N3O2/c1-2-4-10(13)12(17)15-9-6-3-5-8(7-9)11(14)16/h8-10H,2-7,13H2,1H3,(H2,14,16)(H,15,17)
InChIKeyGBMFOYUMMIDQQT-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.27
Rot. Bonds5

About 3-(2-aminopentanoylamino)cyclohexane-1-carboxamide

3-(2-aminopentanoylamino)cyclohexane-1-carboxamide (PubChem CID 119309150) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-(2-aminopentanoylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(2-aminopentanoylamino)cyclohexane-1-carboxamide
PubChem CID119309150
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-(2-aminopentanoylamino)cyclohexane-1-carboxamide
SMILESCCCC(N)C(=O)NC1CCCC(C(N)=O)C1
InChIInChI=1S/C12H23N3O2/c1-2-4-10(13)12(17)15-9-6-3-5-8(7-9)11(14)16/h8-10H,2-7,13H2,1H3,(H2,14,16)(H,15,17)
InChIKeyGBMFOYUMMIDQQT-UHFFFAOYSA-N
XLogP0.27
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-ethylcyclohexyl)pentanamide;hydrochloride
CID 119329059
cis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322988
3-(2-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 66031566
2-amino-N-[2-(hydroxymethyl)cyclopentyl]pentanamide
CID 103796946
2-amino-N-(4-aminocyclohexyl)pentanamide
CID 62319442
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119309135
(2R)-2-amino-N-(1,1-dioxothian-3-yl)pentanamide
CID 103796806
[(1S,3S)-3-carbamoylcyclohexyl]carbamic acid
CID 68629698
(2S)-2-amino-N-cycloheptylhexanamide
CID 103830902
2-amino-N-(4-propan-2-ylcyclohexyl)pentanamide
CID 119339852
3-(3-hydroxybutanoylamino)cyclohexane-1-carboxamide
CID 168729925
(2R)-2-amino-N-(1,2-dimethylpiperidin-4-yl)pentanamide
CID 103814653

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopentanoylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-(2-aminopentanoylamino)cyclohexane-1-carboxamide (CID 119309150) is 3-(2-aminopentanoylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(2-aminopentanoylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(2-aminopentanoylamino)cyclohexane-1-carboxamide is CCCC(N)C(=O)NC1CCCC(C(N)=O)C1.
What is the InChIKey of 3-(2-aminopentanoylamino)cyclohexane-1-carboxamide?
The InChIKey is GBMFOYUMMIDQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-2-4-10(13)12(17)15-9-6-3-5-8(7-9)11(14)16/h8-10H,2-7,13H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 3-(2-aminopentanoylamino)cyclohexane-1-carboxamide?
3-(2-aminopentanoylamino)cyclohexane-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopentanoylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 119309150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).