5-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pentanamide

C12H23N5O — CID 114161729

IUPAC5-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pentanamide
SMILESCN(C)c1ncc(CNCCCCC(N)=O)n1C
InChIInChI=1S/C12H23N5O/c1-16(2)12-15-9-10(17(12)3)8-14-7-5-4-6-11(13)18/h9,14H,4-8H2,1-3H3,(H2,13,18)
InChIKeyIHFFTILSELMPPL-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.23
Rot. Bonds8

About 5-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pentanamide

5-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pentanamide (PubChem CID 114161729) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pentanamide.

Molecular Properties

Compound Name5-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pentanamide
PubChem CID114161729
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name5-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pentanamide
SMILESCN(C)c1ncc(CNCCCCC(N)=O)n1C
InChIInChI=1S/C12H23N5O/c1-16(2)12-15-9-10(17(12)3)8-14-7-5-4-6-11(13)18/h9,14H,4-8H2,1-3H3,(H2,13,18)
InChIKeyIHFFTILSELMPPL-UHFFFAOYSA-N
XLogP0.23
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pentanamide 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,N,1-trimethyl-5-[(2-methylprop-2-enylamino)methyl]imidazol-2-amine
CID 114615401
5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentanamide
CID 106233404
5-[(1-methylpyrrol-2-yl)methylamino]pentanamide
CID 106234174
5-[(3-ethylimidazol-4-yl)methylamino]pentanamide
CID 106233413
5-[(methoxyamino)methyl]-N,N,1-trimethylimidazol-2-amine
CID 82706507
1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-2-methylpentan-2-ol
CID 114169123
N,N,1-trimethyl-5-[(3-methylpentan-3-ylamino)methyl]imidazol-2-amine
CID 106327910
4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]butanamide
CID 60863950
4-[(2-methylpyrazol-3-yl)methylamino]butanamide
CID 60863582
5-[(1-propylpyrazol-4-yl)methylamino]pentanamide
CID 114161780
4-(pyrimidin-2-ylmethylamino)butanamide
CID 62700289
5-[(1-tert-butylpyrazol-4-yl)methylamino]pentanamide
CID 106234065

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pentanamide?
The IUPAC name of 5-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pentanamide (CID 114161729) is 5-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pentanamide.
What is the SMILES notation for 5-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pentanamide?
The canonical SMILES for 5-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pentanamide is CN(C)c1ncc(CNCCCCC(N)=O)n1C.
What is the InChIKey of 5-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pentanamide?
The InChIKey is IHFFTILSELMPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-16(2)12-15-9-10(17(12)3)8-14-7-5-4-6-11(13)18/h9,14H,4-8H2,1-3H3,(H2,13,18).
What are the key properties of 5-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pentanamide?
5-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pentanamide has a molecular weight of 253.35 g/mol, XLogP of 0.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pentanamide is sourced from PubChem (CID 114161729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).