N-(2-aminopropyl)-3-imidazol-1-ylpropanamide

C9H16N4O — CID 63733352

IUPACN-(2-aminopropyl)-3-imidazol-1-ylpropanamide
SMILESCC(N)CNC(=O)CCn1ccnc1
InChIInChI=1S/C9H16N4O/c1-8(10)6-12-9(14)2-4-13-5-3-11-7-13/h3,5,7-8H,2,4,6,10H2,1H3,(H,12,14)
InChIKeyVSSHLQJZNASVSA-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.26
Rot. Bonds5

About N-(2-aminopropyl)-3-imidazol-1-ylpropanamide

N-(2-aminopropyl)-3-imidazol-1-ylpropanamide (PubChem CID 63733352) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(2-aminopropyl)-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-3-imidazol-1-ylpropanamide
PubChem CID63733352
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-(2-aminopropyl)-3-imidazol-1-ylpropanamide
SMILESCC(N)CNC(=O)CCn1ccnc1
InChIInChI=1S/C9H16N4O/c1-8(10)6-12-9(14)2-4-13-5-3-11-7-13/h3,5,7-8H,2,4,6,10H2,1H3,(H,12,14)
InChIKeyVSSHLQJZNASVSA-UHFFFAOYSA-N
XLogP-0.26
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-phenylethyl)-3-imidazol-1-ylpropanamide;dihydrochloride
CID 119527702
N-(4-hydroxybutan-2-yl)-3-imidazol-1-ylpropanamide
CID 115283469
N-(4-hydroxypentyl)-3-imidazol-1-ylpropanamide
CID 107299783
(3S)-5-(3-imidazol-1-ylpropanoylamino)-3-methylpentanamide
CID 173104435
N-(4-hydroxy-2-methylpentyl)-4-imidazol-1-ylbutanamide
CID 111447010
N-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 63733343
3-(3-imidazol-1-ylpropanoylamino)-2,2-dimethylpropanoic acid
CID 115427121
N-(3-amino-2,2-difluoropropyl)-3-imidazol-1-ylpropanamide
CID 114383724
N-(2,3-dihydroxy-2-methylpropyl)-3-imidazol-1-ylpropanamide
CID 66171307
4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide
CID 120564401
N-[(2R)-1-hydroxybutan-2-yl]-3-imidazol-1-ylpropanamide
CID 103919885
N-(1-amino-2,4-dimethylpentan-2-yl)-3-imidazol-1-ylpropanamide;dihydrochloride
CID 119597830

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-3-imidazol-1-ylpropanamide?
The IUPAC name of N-(2-aminopropyl)-3-imidazol-1-ylpropanamide (CID 63733352) is N-(2-aminopropyl)-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-(2-aminopropyl)-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-(2-aminopropyl)-3-imidazol-1-ylpropanamide is CC(N)CNC(=O)CCn1ccnc1.
What is the InChIKey of N-(2-aminopropyl)-3-imidazol-1-ylpropanamide?
The InChIKey is VSSHLQJZNASVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-8(10)6-12-9(14)2-4-13-5-3-11-7-13/h3,5,7-8H,2,4,6,10H2,1H3,(H,12,14).
What are the key properties of N-(2-aminopropyl)-3-imidazol-1-ylpropanamide?
N-(2-aminopropyl)-3-imidazol-1-ylpropanamide has a molecular weight of 196.25 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 63733352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).