6-amino-N-[6-oxo-6-(propan-2-ylamino)hexyl]hexanamide

C15H31N3O2 — CID 102236503

IUPAC6-amino-N-[6-oxo-6-(propan-2-ylamino)hexyl]hexanamide
SMILESCC(C)NC(=O)CCCCCNC(=O)CCCCCN
InChIInChI=1S/C15H31N3O2/c1-13(2)18-15(20)10-6-4-8-12-17-14(19)9-5-3-7-11-16/h13H,3-12,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyZSXNNWDWGHJRDU-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.71
Rot. Bonds12

About 6-amino-N-[6-oxo-6-(propan-2-ylamino)hexyl]hexanamide

6-amino-N-[6-oxo-6-(propan-2-ylamino)hexyl]hexanamide (PubChem CID 102236503) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 6-amino-N-[6-oxo-6-(propan-2-ylamino)hexyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[6-oxo-6-(propan-2-ylamino)hexyl]hexanamide
PubChem CID102236503
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name6-amino-N-[6-oxo-6-(propan-2-ylamino)hexyl]hexanamide
SMILESCC(C)NC(=O)CCCCCNC(=O)CCCCCN
InChIInChI=1S/C15H31N3O2/c1-13(2)18-15(20)10-6-4-8-12-17-14(19)9-5-3-7-11-16/h13H,3-12,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyZSXNNWDWGHJRDU-UHFFFAOYSA-N
XLogP1.71
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-amino-N-[6-oxo-6-(propan-2-ylamino)hexyl]hexanamide 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

6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide
CID 43515188
5-amino-N-[5-(propanoylamino)pentyl]pentanamide
CID 170966361
6-amino-N-butylhexanamide
CID 14914743
7-amino-N-butylheptanamide
CID 24689519
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
N-(6-aminohexyl)dodecanamide
CID 13030555
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439
N-(4-aminobutyl)tetracosanamide
CID 171117181
N-(9-aminononyl)nonanamide
CID 154091260
6-amino-N-(5-amino-5-oxopentyl)hexanamide
CID 106235898

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[6-oxo-6-(propan-2-ylamino)hexyl]hexanamide?
The IUPAC name of 6-amino-N-[6-oxo-6-(propan-2-ylamino)hexyl]hexanamide (CID 102236503) is 6-amino-N-[6-oxo-6-(propan-2-ylamino)hexyl]hexanamide.
What is the SMILES notation for 6-amino-N-[6-oxo-6-(propan-2-ylamino)hexyl]hexanamide?
The canonical SMILES for 6-amino-N-[6-oxo-6-(propan-2-ylamino)hexyl]hexanamide is CC(C)NC(=O)CCCCCNC(=O)CCCCCN.
What is the InChIKey of 6-amino-N-[6-oxo-6-(propan-2-ylamino)hexyl]hexanamide?
The InChIKey is ZSXNNWDWGHJRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-13(2)18-15(20)10-6-4-8-12-17-14(19)9-5-3-7-11-16/h13H,3-12,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 6-amino-N-[6-oxo-6-(propan-2-ylamino)hexyl]hexanamide?
6-amino-N-[6-oxo-6-(propan-2-ylamino)hexyl]hexanamide has a molecular weight of 285.43 g/mol, XLogP of 1.71, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[6-oxo-6-(propan-2-ylamino)hexyl]hexanamide is sourced from PubChem (CID 102236503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).