N-cyclopropyl-4-(hexan-2-ylamino)butanamide

C13H26N2O — CID 79394095

IUPACN-cyclopropyl-4-(hexan-2-ylamino)butanamide
SMILESCCCCC(C)NCCCC(=O)NC1CC1
InChIInChI=1S/C13H26N2O/c1-3-4-6-11(2)14-10-5-7-13(16)15-12-8-9-12/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeySIRWCJSKDLYELS-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.21
Rot. Bonds9

About N-cyclopropyl-4-(hexan-2-ylamino)butanamide

N-cyclopropyl-4-(hexan-2-ylamino)butanamide (PubChem CID 79394095) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-cyclopropyl-4-(hexan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(hexan-2-ylamino)butanamide
PubChem CID79394095
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-cyclopropyl-4-(hexan-2-ylamino)butanamide
SMILESCCCCC(C)NCCCC(=O)NC1CC1
InChIInChI=1S/C13H26N2O/c1-3-4-6-11(2)14-10-5-7-13(16)15-12-8-9-12/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeySIRWCJSKDLYELS-UHFFFAOYSA-N
XLogP2.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-4-(hexan-2-ylamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-4-(nonan-2-ylamino)butanamide
CID 79394259
N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide
CID 79394178
N-cyclopropyl-4-(1-methylsulfonylpropan-2-ylamino)butanamide
CID 79394021
N-cyclopropyl-4-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]butanamide
CID 111195048
4-(1-cyclohexylethylamino)-N-cyclopropylbutanamide
CID 79394923
N-cyclopropyl-4-(propylamino)butanamide
CID 79394678
ethyl 2-[[4-(cyclopropylamino)-4-oxobutyl]amino]butanoate
CID 79394631
N-cyclopropyl-4-[4-(furan-2-yl)butan-2-ylamino]butanamide
CID 79394921
N-cyclopropyl-4-[4-(3-methylphenyl)butan-2-ylamino]butanamide
CID 79377026
N-cyclopropyl-4-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]butanamide
CID 79393960
N-cyclopropyl-4-[1-(1-ethylpiperidin-4-yl)ethylamino]butanamide
CID 79394588
4-(1-cyanopropylamino)-N-cyclopropylbutanamide
CID 79394703

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(hexan-2-ylamino)butanamide?
The IUPAC name of N-cyclopropyl-4-(hexan-2-ylamino)butanamide (CID 79394095) is N-cyclopropyl-4-(hexan-2-ylamino)butanamide.
What is the SMILES notation for N-cyclopropyl-4-(hexan-2-ylamino)butanamide?
The canonical SMILES for N-cyclopropyl-4-(hexan-2-ylamino)butanamide is CCCCC(C)NCCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-(hexan-2-ylamino)butanamide?
The InChIKey is SIRWCJSKDLYELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-4-6-11(2)14-10-5-7-13(16)15-12-8-9-12/h11-12,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-cyclopropyl-4-(hexan-2-ylamino)butanamide?
N-cyclopropyl-4-(hexan-2-ylamino)butanamide has a molecular weight of 226.36 g/mol, XLogP of 2.21, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(hexan-2-ylamino)butanamide is sourced from PubChem (CID 79394095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).