3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine

C12H16N4 — CID 15943325

IUPAC3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
SMILESc1cc(CNCCCn2ccnc2)ccn1
InChIInChI=1S/C12H16N4/c1(8-16-9-7-15-11-16)4-14-10-12-2-5-13-6-3-12/h2-3,5-7,9,11,14H,1,4,8,10H2
InChIKeyQWKABRUIDAEGCV-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.46
Rot. Bonds6

About 3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine

3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine (PubChem CID 15943325) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
PubChem CID15943325
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
SMILESc1cc(CNCCCn2ccnc2)ccn1
InChIInChI=1S/C12H16N4/c1(8-16-9-7-15-11-16)4-14-10-12-2-5-13-6-3-12/h2-3,5-7,9,11,14H,1,4,8,10H2
InChIKeyQWKABRUIDAEGCV-UHFFFAOYSA-N
XLogP1.46
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
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-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155304
3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine
CID 142817924
N-[(4-cyclopropylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 79978907
N-[(4-chlorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine;dihydrochloride
CID 19429491
N-[(3,5-dichlorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 60788679
3-imidazol-1-yl-N-[(4-nitrophenyl)methyl]propan-1-amine;hydrochloride
CID 17155577
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 61069437
N-[(4-cyclopropylphenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 79979594
4-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 61069052
N-[(3,4-dichlorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61069624
N-[(3,5-dimethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 28832043
N-[(4-fluoro-3-methylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 62122292

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine (CID 15943325) is 3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine is c1cc(CNCCCn2ccnc2)ccn1.
What is the InChIKey of 3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine?
The InChIKey is QWKABRUIDAEGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1(8-16-9-7-15-11-16)4-14-10-12-2-5-13-6-3-12/h2-3,5-7,9,11,14H,1,4,8,10H2.
What are the key properties of 3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine?
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine has a molecular weight of 216.29 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 15943325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).