6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide

C12H25N3O2 — CID 61247753

IUPAC6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
SMILESCC(C)C(=O)NCCNC(=O)CCCCCN
InChIInChI=1S/C12H25N3O2/c1-10(2)12(17)15-9-8-14-11(16)6-4-3-5-7-13/h10H,3-9,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyJRXIKFDQNDLMDN-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.39
Rot. Bonds9

About 6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide

6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide (PubChem CID 61247753) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
PubChem CID61247753
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
SMILESCC(C)C(=O)NCCNC(=O)CCCCCN
InChIInChI=1S/C12H25N3O2/c1-10(2)12(17)15-9-8-14-11(16)6-4-3-5-7-13/h10H,3-9,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyJRXIKFDQNDLMDN-UHFFFAOYSA-N
XLogP0.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.39
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-[2-(2-methylpropanoylamino)ethyl]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

7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide
CID 61249058
N-[2-(3-aminopropanoylamino)ethyl]-2-methylpropanamide
CID 61247750
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
6-amino-N-[6-oxo-6-(propan-2-ylamino)hexyl]hexanamide
CID 102236503
6-amino-N-butylhexanamide
CID 14914743
6-amino-N-(2-methylpropyl)hexanamide
CID 24696940
7-amino-N-butylheptanamide
CID 24689519
5-amino-N-[2-(carbamoylamino)ethyl]pentanamide
CID 83110523
7-amino-N-(3-propan-2-yloxypropyl)heptanamide
CID 61275030
7-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]heptanamide
CID 62642436

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide?
The IUPAC name of 6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide (CID 61247753) is 6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide.
What is the SMILES notation for 6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide?
The canonical SMILES for 6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide is CC(C)C(=O)NCCNC(=O)CCCCCN.
What is the InChIKey of 6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide?
The InChIKey is JRXIKFDQNDLMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10(2)12(17)15-9-8-14-11(16)6-4-3-5-7-13/h10H,3-9,13H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide?
6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide has a molecular weight of 243.35 g/mol, XLogP of 0.39, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide is sourced from PubChem (CID 61247753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).