N-ethenyl-3-imidazol-1-ylpropan-1-amine

C8H13N3 — CID 143541256

IUPACN-ethenyl-3-imidazol-1-ylpropan-1-amine
SMILESC=CNCCCn1ccnc1
InChIInChI=1S/C8H13N3/c1-2-9-4-3-6-11-7-5-10-8-11/h2,5,7-9H,1,3-4,6H2
InChIKeyXSLFLVJCUVQJRM-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.01
Rot. Bonds5

About N-ethenyl-3-imidazol-1-ylpropan-1-amine

N-ethenyl-3-imidazol-1-ylpropan-1-amine (PubChem CID 143541256) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N-ethenyl-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethenyl-3-imidazol-1-ylpropan-1-amine
PubChem CID143541256
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN-ethenyl-3-imidazol-1-ylpropan-1-amine
SMILESC=CNCCCn1ccnc1
InChIInChI=1S/C8H13N3/c1-2-9-4-3-6-11-7-5-10-8-11/h2,5,7-9H,1,3-4,6H2
InChIKeyXSLFLVJCUVQJRM-UHFFFAOYSA-N
XLogP1.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 53216159
(3-imidazol-1-ylpropylamino)methyl formate
CID 142974102
N-(2,2-difluoroethyl)-3-imidazol-1-ylpropan-1-amine
CID 115406678
3-imidazol-1-ylpropylurea
CID 22179621
N-(3-imidazol-1-ylpropyl)ethanesulfonamide
CID 19685069
N-[(2-ethenylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 168665221
(2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine
CID 94210912
2,3,4,5,6-pentafluoro-N-(3-imidazol-1-ylpropyl)aniline
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N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine
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CID 60685316

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-ethenyl-3-imidazol-1-ylpropan-1-amine (CID 143541256) is N-ethenyl-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-ethenyl-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-ethenyl-3-imidazol-1-ylpropan-1-amine is C=CNCCCn1ccnc1.
What is the InChIKey of N-ethenyl-3-imidazol-1-ylpropan-1-amine?
The InChIKey is XSLFLVJCUVQJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-9-4-3-6-11-7-5-10-8-11/h2,5,7-9H,1,3-4,6H2.
What are the key properties of N-ethenyl-3-imidazol-1-ylpropan-1-amine?
N-ethenyl-3-imidazol-1-ylpropan-1-amine has a molecular weight of 151.21 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 143541256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).