N'-(3-amino-4-methylpentyl)-N'-methyl-N-propan-2-ylpentanediamide

C15H31N3O2 — CID 119658743

IUPACN'-(3-amino-4-methylpentyl)-N'-methyl-N-propan-2-ylpentanediamide
SMILESCC(C)NC(=O)CCCC(=O)N(C)CCC(N)C(C)C
InChIInChI=1S/C15H31N3O2/c1-11(2)13(16)9-10-18(5)15(20)8-6-7-14(19)17-12(3)4/h11-13H,6-10,16H2,1-5H3,(H,17,19)
InChIKeyGRZPRMLHHRVBBD-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.51
Rot. Bonds9

About N'-(3-amino-4-methylpentyl)-N'-methyl-N-propan-2-ylpentanediamide

N'-(3-amino-4-methylpentyl)-N'-methyl-N-propan-2-ylpentanediamide (PubChem CID 119658743) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is N'-(3-amino-4-methylpentyl)-N'-methyl-N-propan-2-ylpentanediamide.

Molecular Properties

Compound NameN'-(3-amino-4-methylpentyl)-N'-methyl-N-propan-2-ylpentanediamide
PubChem CID119658743
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC NameN'-(3-amino-4-methylpentyl)-N'-methyl-N-propan-2-ylpentanediamide
SMILESCC(C)NC(=O)CCCC(=O)N(C)CCC(N)C(C)C
InChIInChI=1S/C15H31N3O2/c1-11(2)13(16)9-10-18(5)15(20)8-6-7-14(19)17-12(3)4/h11-13H,6-10,16H2,1-5H3,(H,17,19)
InChIKeyGRZPRMLHHRVBBD-UHFFFAOYSA-N
XLogP1.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N'-(3-amino-4-methylpentyl)-N'-methyl-N-propan-2-ylpentanediamide 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-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride
CID 119657793
N-(3-amino-4-methylpentyl)-N-methylhexanamide;hydrochloride
CID 119658936
N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 119659545
N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424
N-(3-amino-4-methylpentyl)-3-methoxy-N-methylpropanamide
CID 81485025
4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide;hydrochloride
CID 119272108
2-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]sulfanylacetamide
CID 119660546
N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-4-chlorobenzamide
CID 119659439
1-(3-amino-4-methylpentyl)-3-butyl-1-methylurea
CID 115317544
N-(3-amino-4-methylpentyl)-N-methyl-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
CID 119657358
N-(3-amino-4-methylpentyl)-4-(3,4-difluorophenyl)-N-methylbutanamide
CID 119659377
N-(3-amino-4-methylpentyl)-2-(carbamoylamino)-N-methylpropanamide
CID 119658379

Frequently Asked Questions

What is the IUPAC name of N'-(3-amino-4-methylpentyl)-N'-methyl-N-propan-2-ylpentanediamide?
The IUPAC name of N'-(3-amino-4-methylpentyl)-N'-methyl-N-propan-2-ylpentanediamide (CID 119658743) is N'-(3-amino-4-methylpentyl)-N'-methyl-N-propan-2-ylpentanediamide.
What is the SMILES notation for N'-(3-amino-4-methylpentyl)-N'-methyl-N-propan-2-ylpentanediamide?
The canonical SMILES for N'-(3-amino-4-methylpentyl)-N'-methyl-N-propan-2-ylpentanediamide is CC(C)NC(=O)CCCC(=O)N(C)CCC(N)C(C)C.
What is the InChIKey of N'-(3-amino-4-methylpentyl)-N'-methyl-N-propan-2-ylpentanediamide?
The InChIKey is GRZPRMLHHRVBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-11(2)13(16)9-10-18(5)15(20)8-6-7-14(19)17-12(3)4/h11-13H,6-10,16H2,1-5H3,(H,17,19).
What are the key properties of N'-(3-amino-4-methylpentyl)-N'-methyl-N-propan-2-ylpentanediamide?
N'-(3-amino-4-methylpentyl)-N'-methyl-N-propan-2-ylpentanediamide has a molecular weight of 285.43 g/mol, XLogP of 1.51, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-amino-4-methylpentyl)-N'-methyl-N-propan-2-ylpentanediamide is sourced from PubChem (CID 119658743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).