5-amino-N-(4-imidazol-1-ylbutyl)-2-methylpentanamide

C13H24N4O — CID 104684937

IUPAC5-amino-N-(4-imidazol-1-ylbutyl)-2-methylpentanamide
SMILESCC(CCCN)C(=O)NCCCCn1ccnc1
InChIInChI=1S/C13H24N4O/c1-12(5-4-6-14)13(18)16-7-2-3-9-17-10-8-15-11-17/h8,10-12H,2-7,9,14H2,1H3,(H,16,18)
InChIKeyKRVDCKAIKCWXDS-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.15
Rot. Bonds9

About 5-amino-N-(4-imidazol-1-ylbutyl)-2-methylpentanamide

5-amino-N-(4-imidazol-1-ylbutyl)-2-methylpentanamide (PubChem CID 104684937) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-amino-N-(4-imidazol-1-ylbutyl)-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(4-imidazol-1-ylbutyl)-2-methylpentanamide
PubChem CID104684937
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name5-amino-N-(4-imidazol-1-ylbutyl)-2-methylpentanamide
SMILESCC(CCCN)C(=O)NCCCCn1ccnc1
InChIInChI=1S/C13H24N4O/c1-12(5-4-6-14)13(18)16-7-2-3-9-17-10-8-15-11-17/h8,10-12H,2-7,9,14H2,1H3,(H,16,18)
InChIKeyKRVDCKAIKCWXDS-UHFFFAOYSA-N
XLogP1.15
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-imidazol-1-ylbutyl)-2-methyl-3-(methylamino)propanamide
CID 79201805
2-bromo-N-(4-imidazol-1-ylbutyl)propanamide
CID 107905070
propan-2-yl N-(4-imidazol-1-ylbutyl)carbamate
CID 116655262
N-(5-imidazol-1-ylpentyl)-3-methylbutanamide
CID 110442138
7-amino-N-(3-imidazol-1-ylpropyl)heptanamide
CID 28994147
1-(4-imidazol-1-ylbutyl)-3-methylurea
CID 115589253
2-(azetidin-3-yl)-N-(4-imidazol-1-ylbutyl)propanamide
CID 116677559
3-imidazol-1-ylpropylurea
CID 22179621
ethyl (2S)-8-imidazol-1-yl-2-methyloctanoate
CID 70551374
2-(2-aminoethoxy)-N-(4-imidazol-1-ylbutyl)acetamide
CID 79478466
5-imidazol-1-yl-2-(methylamino)pentanoic acid
CID 174175752
2,2,2-trifluoro-N-(6-imidazol-1-ylhexyl)acetamide
CID 110443177

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-imidazol-1-ylbutyl)-2-methylpentanamide?
The IUPAC name of 5-amino-N-(4-imidazol-1-ylbutyl)-2-methylpentanamide (CID 104684937) is 5-amino-N-(4-imidazol-1-ylbutyl)-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-(4-imidazol-1-ylbutyl)-2-methylpentanamide?
The canonical SMILES for 5-amino-N-(4-imidazol-1-ylbutyl)-2-methylpentanamide is CC(CCCN)C(=O)NCCCCn1ccnc1.
What is the InChIKey of 5-amino-N-(4-imidazol-1-ylbutyl)-2-methylpentanamide?
The InChIKey is KRVDCKAIKCWXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-12(5-4-6-14)13(18)16-7-2-3-9-17-10-8-15-11-17/h8,10-12H,2-7,9,14H2,1H3,(H,16,18).
What are the key properties of 5-amino-N-(4-imidazol-1-ylbutyl)-2-methylpentanamide?
5-amino-N-(4-imidazol-1-ylbutyl)-2-methylpentanamide has a molecular weight of 252.36 g/mol, XLogP of 1.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-imidazol-1-ylbutyl)-2-methylpentanamide is sourced from PubChem (CID 104684937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).