7-amino-N-[1-(2-methylpropyl)imidazol-2-yl]heptanamide;hydrochloride

C14H27ClN4O — CID 119762492

IUPAC7-amino-N-[1-(2-methylpropyl)imidazol-2-yl]heptanamide;hydrochloride
SMILESCC(C)Cn1ccnc1NC(=O)CCCCCCN.Cl
InChIInChI=1S/C14H26N4O.ClH/c1-12(2)11-18-10-9-16-14(18)17-13(19)7-5-3-4-6-8-15;/h9-10,12H,3-8,11,15H2,1-2H3,(H,16,17,19);1H
InChIKeyGOOAWXDZZFCSNU-UHFFFAOYSA-N
MW302.85 g/mol
LogP2.81
Rot. Bonds9

About 7-amino-N-[1-(2-methylpropyl)imidazol-2-yl]heptanamide;hydrochloride

7-amino-N-[1-(2-methylpropyl)imidazol-2-yl]heptanamide;hydrochloride (PubChem CID 119762492) has the molecular formula C14H27ClN4O and a molecular weight of 302.85 g/mol. Its IUPAC name is 7-amino-N-[1-(2-methylpropyl)imidazol-2-yl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[1-(2-methylpropyl)imidazol-2-yl]heptanamide;hydrochloride
PubChem CID119762492
Molecular FormulaC14H27ClN4O
Molecular Weight302.85 g/mol
Exact Mass302.19
IUPAC Name7-amino-N-[1-(2-methylpropyl)imidazol-2-yl]heptanamide;hydrochloride
SMILESCC(C)Cn1ccnc1NC(=O)CCCCCCN.Cl
InChIInChI=1S/C14H26N4O.ClH/c1-12(2)11-18-10-9-16-14(18)17-13(19)7-5-3-4-6-8-15;/h9-10,12H,3-8,11,15H2,1-2H3,(H,16,17,19);1H
InChIKeyGOOAWXDZZFCSNU-UHFFFAOYSA-N
XLogP2.81
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 52.81
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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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-(2-methylpropyl)imidazol-2-yl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[1-(2-methylpropyl)imidazol-2-yl]heptanamide;hydrochloride (CID 119762492) is 7-amino-N-[1-(2-methylpropyl)imidazol-2-yl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[1-(2-methylpropyl)imidazol-2-yl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[1-(2-methylpropyl)imidazol-2-yl]heptanamide;hydrochloride is CC(C)Cn1ccnc1NC(=O)CCCCCCN.Cl.
What is the InChIKey of 7-amino-N-[1-(2-methylpropyl)imidazol-2-yl]heptanamide;hydrochloride?
The InChIKey is GOOAWXDZZFCSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O.ClH/c1-12(2)11-18-10-9-16-14(18)17-13(19)7-5-3-4-6-8-15;/h9-10,12H,3-8,11,15H2,1-2H3,(H,16,17,19);1H.
What are the key properties of 7-amino-N-[1-(2-methylpropyl)imidazol-2-yl]heptanamide;hydrochloride?
7-amino-N-[1-(2-methylpropyl)imidazol-2-yl]heptanamide;hydrochloride has a molecular weight of 302.85 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-(2-methylpropyl)imidazol-2-yl]heptanamide;hydrochloride is sourced from PubChem (CID 119762492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).