N-(2-amino-1-cyclohexylethyl)-4-(methylamino)butanamide

C13H27N3O — CID 122080634

IUPACN-(2-amino-1-cyclohexylethyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC(CN)C1CCCCC1
InChIInChI=1S/C13H27N3O/c1-15-9-5-8-13(17)16-12(10-14)11-6-3-2-4-7-11/h11-12,15H,2-10,14H2,1H3,(H,16,17)
InChIKeyYZLYLBMJOKFZNT-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.01
Rot. Bonds7

About N-(2-amino-1-cyclohexylethyl)-4-(methylamino)butanamide

N-(2-amino-1-cyclohexylethyl)-4-(methylamino)butanamide (PubChem CID 122080634) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-4-(methylamino)butanamide
PubChem CID122080634
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-(2-amino-1-cyclohexylethyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC(CN)C1CCCCC1
InChIInChI=1S/C13H27N3O/c1-15-9-5-8-13(17)16-12(10-14)11-6-3-2-4-7-11/h11-12,15H,2-10,14H2,1H3,(H,16,17)
InChIKeyYZLYLBMJOKFZNT-UHFFFAOYSA-N
XLogP1.01
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-1-cyclohexylethyl)pentanamide;hydrochloride
CID 119589343
N-[(1R)-1-cycloheptylethyl]-4-(methylamino)butanamide
CID 81392455
N-(2-amino-1-cyclopentylethyl)-3-cyclohexylpropanamide
CID 106737712
N-(2-amino-1-cyclohexylethyl)-3-butylsulfanylpropanamide
CID 119592153
N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutanamide
CID 81486060
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide
CID 119591993
N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 119615517
N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 119614975
N-(2-amino-1-cyclopentylethyl)-3-methylbutanamide
CID 106737373
2-acetamido-N-(2-amino-1-cyclohexylethyl)acetamide;hydrochloride
CID 119590269
N-(2-amino-1-cyclohexylethyl)-4-(4-nitroanilino)butanamide
CID 119591165
N-(2-amino-1-cyclopentylethyl)-2-(dimethylamino)acetamide
CID 106737390

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-(methylamino)butanamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-(methylamino)butanamide (CID 122080634) is N-(2-amino-1-cyclohexylethyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-4-(methylamino)butanamide is CNCCCC(=O)NC(CN)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-4-(methylamino)butanamide?
The InChIKey is YZLYLBMJOKFZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-15-9-5-8-13(17)16-12(10-14)11-6-3-2-4-7-11/h11-12,15H,2-10,14H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-4-(methylamino)butanamide?
N-(2-amino-1-cyclohexylethyl)-4-(methylamino)butanamide has a molecular weight of 241.38 g/mol, XLogP of 1.01, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-4-(methylamino)butanamide is sourced from PubChem (CID 122080634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).