2-amino-N-(2-ethylcyclohexyl)butanediamide

C12H23N3O2 — CID 60847116

IUPAC2-amino-N-(2-ethylcyclohexyl)butanediamide
SMILESCCC1CCCCC1NC(=O)C(N)CC(N)=O
InChIInChI=1S/C12H23N3O2/c1-2-8-5-3-4-6-10(8)15-12(17)9(13)7-11(14)16/h8-10H,2-7,13H2,1H3,(H2,14,16)(H,15,17)
InChIKeyRVBGWERZXVRAIQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.27
Rot. Bonds5

About 2-amino-N-(2-ethylcyclohexyl)butanediamide

2-amino-N-(2-ethylcyclohexyl)butanediamide (PubChem CID 60847116) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-amino-N-(2-ethylcyclohexyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(2-ethylcyclohexyl)butanediamide
PubChem CID60847116
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-amino-N-(2-ethylcyclohexyl)butanediamide
SMILESCCC1CCCCC1NC(=O)C(N)CC(N)=O
InChIInChI=1S/C12H23N3O2/c1-2-8-5-3-4-6-10(8)15-12(17)9(13)7-11(14)16/h8-10H,2-7,13H2,1H3,(H2,14,16)(H,15,17)
InChIKeyRVBGWERZXVRAIQ-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-[(1S,2S)-2-hydroxycyclohexyl]butanediamide
CID 107221602
(2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide
CID 79011794
2-amino-N-(2-methylcyclopentyl)butanediamide
CID 63281841
(2S)-2-amino-N-(2-ethylcyclohexyl)-4-phenylbutanamide
CID 104983988
3-amino-N-(2-ethylcyclopentyl)-2-methylbutanamide;hydrochloride
CID 120502063
N-[(1S,2R)-2-ethylcyclohexyl]acetamide
CID 162400753
2-amino-N-(2-methyloxolan-3-yl)butanediamide
CID 82729118
2-amino-N-[2-(hydroxymethyl)cyclohexyl]hexanamide
CID 114178728
N-[(1S,2S)-2-ethylcycloheptyl]acetamide
CID 668218
2-amino-N-[2-(hydroxymethyl)cyclopentyl]pentanamide
CID 103796946
3-(aminomethyl)-N-(2-ethylcyclohexyl)pentanamide
CID 81076013
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
CID 107221502

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethylcyclohexyl)butanediamide?
The IUPAC name of 2-amino-N-(2-ethylcyclohexyl)butanediamide (CID 60847116) is 2-amino-N-(2-ethylcyclohexyl)butanediamide.
What is the SMILES notation for 2-amino-N-(2-ethylcyclohexyl)butanediamide?
The canonical SMILES for 2-amino-N-(2-ethylcyclohexyl)butanediamide is CCC1CCCCC1NC(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-(2-ethylcyclohexyl)butanediamide?
The InChIKey is RVBGWERZXVRAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-2-8-5-3-4-6-10(8)15-12(17)9(13)7-11(14)16/h8-10H,2-7,13H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 2-amino-N-(2-ethylcyclohexyl)butanediamide?
2-amino-N-(2-ethylcyclohexyl)butanediamide 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 2-amino-N-(2-ethylcyclohexyl)butanediamide is sourced from PubChem (CID 60847116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).