4-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide

C14H28N2O — CID 80543097

IUPAC4-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide
SMILESCCC1CCC(CNC(=O)C(C)CCN)CC1
InChIInChI=1S/C14H28N2O/c1-3-12-4-6-13(7-5-12)10-16-14(17)11(2)8-9-15/h11-13H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyNRDLQOXDGABKFE-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.30
Rot. Bonds6

About 4-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide

4-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide (PubChem CID 80543097) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide
PubChem CID80543097
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide
SMILESCCC1CCC(CNC(=O)C(C)CCN)CC1
InChIInChI=1S/C14H28N2O/c1-3-12-4-6-13(7-5-12)10-16-14(17)11(2)8-9-15/h11-13H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyNRDLQOXDGABKFE-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(4-amino-2-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 80545198
4-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2-methylbutanamide
CID 80543737
(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]propanamide
CID 61149083
5-amino-N-(cyclohexylmethyl)-2-methylpentanamide
CID 104683632
2-chloro-N-[(4-ethylcyclohexyl)methyl]propanamide
CID 60971476
(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide
CID 93389393
4-amino-N-(cyclopropylmethyl)-2-hydroxybutanamide
CID 174968464
N-[(4-chlorocyclohexyl)methyl]-2-methylbutanamide
CID 106133616
N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide
CID 106123043
cyclopropylmethyl 4-amino-2-methylbutanoate
CID 80540087
2-amino-N-(cyclopropylmethyl)propanamide
CID 24690233
4-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide;hydrochloride
CID 120561038

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide?
The IUPAC name of 4-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide (CID 80543097) is 4-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide?
The canonical SMILES for 4-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide is CCC1CCC(CNC(=O)C(C)CCN)CC1.
What is the InChIKey of 4-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide?
The InChIKey is NRDLQOXDGABKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-12-4-6-13(7-5-12)10-16-14(17)11(2)8-9-15/h11-13H,3-10,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide?
4-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide has a molecular weight of 240.39 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide is sourced from PubChem (CID 80543097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).