6-amino-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylheptanamide

C13H24N4O — CID 65291202

IUPAC6-amino-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylheptanamide
SMILESCC(N)CCCC(C)C(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C13H24N4O/c1-10(5-4-6-11(2)14)13(18)17(3)9-12-15-7-8-16-12/h7-8,10-11H,4-6,9,14H2,1-3H3,(H,15,16)
InChIKeySIMCBAJRKQSENT-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.52
Rot. Bonds7

About 6-amino-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylheptanamide

6-amino-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylheptanamide (PubChem CID 65291202) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 6-amino-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylheptanamide.

Molecular Properties

Compound Name6-amino-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylheptanamide
PubChem CID65291202
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name6-amino-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylheptanamide
SMILESCC(N)CCCC(C)C(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C13H24N4O/c1-10(5-4-6-11(2)14)13(18)17(3)9-12-15-7-8-16-12/h7-8,10-11H,4-6,9,14H2,1-3H3,(H,15,16)
InChIKeySIMCBAJRKQSENT-UHFFFAOYSA-N
XLogP1.52
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-amino-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylheptanamide 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-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide
CID 63929546
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
CID 64517492
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 64511881
2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N,3-dimethylbutanamide
CID 64510546
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(4-methylphenyl)acetamide
CID 106312421
2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
CID 64512267
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 64511880
N-(1H-imidazol-2-ylmethyl)-N,3,4,4-tetramethylpentanamide
CID 63939448
6-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptanamide
CID 65291152
3-[(2R)-heptan-2-yl]-1-(1H-imidazol-2-ylmethyl)-1-methylurea
CID 122570121
N-(1H-imidazol-2-ylmethyl)-N-methylheptanamide
CID 63940803
3-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
CID 64519617

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylheptanamide?
The IUPAC name of 6-amino-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylheptanamide (CID 65291202) is 6-amino-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylheptanamide.
What is the SMILES notation for 6-amino-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylheptanamide?
The canonical SMILES for 6-amino-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylheptanamide is CC(N)CCCC(C)C(=O)N(C)Cc1ncc[nH]1.
What is the InChIKey of 6-amino-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylheptanamide?
The InChIKey is SIMCBAJRKQSENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(5-4-6-11(2)14)13(18)17(3)9-12-15-7-8-16-12/h7-8,10-11H,4-6,9,14H2,1-3H3,(H,15,16).
What are the key properties of 6-amino-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylheptanamide?
6-amino-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylheptanamide has a molecular weight of 252.36 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylheptanamide is sourced from PubChem (CID 65291202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).