2-amino-N-[(1-ethylcyclopropyl)methyl]cyclohexane-1-carboxamide

C13H24N2O — CID 103810853

IUPAC2-amino-N-[(1-ethylcyclopropyl)methyl]cyclohexane-1-carboxamide
SMILESCCC1(CNC(=O)C2CCCCC2N)CC1
InChIInChI=1S/C13H24N2O/c1-2-13(7-8-13)9-15-12(16)10-5-3-4-6-11(10)14/h10-11H,2-9,14H2,1H3,(H,15,16)
InChIKeyWHMLVAFCWYZKQH-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.81
Rot. Bonds4

About 2-amino-N-[(1-ethylcyclopropyl)methyl]cyclohexane-1-carboxamide

2-amino-N-[(1-ethylcyclopropyl)methyl]cyclohexane-1-carboxamide (PubChem CID 103810853) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-amino-N-[(1-ethylcyclopropyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1-ethylcyclopropyl)methyl]cyclohexane-1-carboxamide
PubChem CID103810853
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-amino-N-[(1-ethylcyclopropyl)methyl]cyclohexane-1-carboxamide
SMILESCCC1(CNC(=O)C2CCCCC2N)CC1
InChIInChI=1S/C13H24N2O/c1-2-13(7-8-13)9-15-12(16)10-5-3-4-6-11(10)14/h10-11H,2-9,14H2,1H3,(H,15,16)
InChIKeyWHMLVAFCWYZKQH-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1-propylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 103813071
2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopentane-1-carboxamide
CID 115360185
2-amino-N-[(1-methylcyclohexyl)methyl]cyclopentane-1-carboxamide
CID 103812983
1-[[(2-aminocyclopentanecarbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436439
2-amino-N-[(2-methylthiolan-2-yl)methyl]cycloheptane-1-carboxamide
CID 80736958
4-[(1-ethylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114101646
N-[(1-ethylcyclopropyl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 103822212
cis-(1R,2S)-2-[(1-ethylcyclopropyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114099275
2-[(1-ethylcyclopropyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114099268
3-amino-N-[(1-ethylcyclobutyl)methyl]cyclopentane-1-carboxamide
CID 103810881
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]cyclopentane-1-carboxamide
CID 65120385
2-[[1-(hydroxymethyl)cyclopropyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 115454200

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-ethylcyclopropyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[(1-ethylcyclopropyl)methyl]cyclohexane-1-carboxamide (CID 103810853) is 2-amino-N-[(1-ethylcyclopropyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(1-ethylcyclopropyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(1-ethylcyclopropyl)methyl]cyclohexane-1-carboxamide is CCC1(CNC(=O)C2CCCCC2N)CC1.
What is the InChIKey of 2-amino-N-[(1-ethylcyclopropyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is WHMLVAFCWYZKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-13(7-8-13)9-15-12(16)10-5-3-4-6-11(10)14/h10-11H,2-9,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-[(1-ethylcyclopropyl)methyl]cyclohexane-1-carboxamide?
2-amino-N-[(1-ethylcyclopropyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-ethylcyclopropyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 103810853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).