N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine

C13H18N4 — CID 62293470

IUPACN-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccnc1-n1ccnc1C
InChIInChI=1S/C13H18N4/c1-3-6-14-10-12-5-4-7-16-13(12)17-9-8-15-11(17)2/h4-5,7-9,14H,3,6,10H2,1-2H3
InChIKeyCCSBAIIERCXDSU-UHFFFAOYSA-N
MW230.32 g/mol
LogP2.08
Rot. Bonds5

About N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine

N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 62293470) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID62293470
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC NameN-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccnc1-n1ccnc1C
InChIInChI=1S/C13H18N4/c1-3-6-14-10-12-5-4-7-16-13(12)17-9-8-15-11(17)2/h4-5,7-9,14H,3,6,10H2,1-2H3
InChIKeyCCSBAIIERCXDSU-UHFFFAOYSA-N
XLogP2.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 52.08
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-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butan-2-amine
CID 130198321
N-[[2-(2-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]propan-1-amine
CID 43478576
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62286453
N-heptyl-2-(2-methylimidazol-1-yl)pyridin-3-amine
CID 60945336
1-(3-fluoro-4-methylphenyl)-3-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]urea
CID 56818885
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3,3-diphenylpropanamide
CID 60565634
N-[[4-(2-methylimidazol-1-yl)-2-pyridinyl]methyl]propan-1-amine
CID 55059175
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]ethanesulfonamide
CID 64584172
N-heptan-4-yl-2-(2-methylimidazol-1-yl)pyridin-3-amine
CID 60945603
N-[[2-(1,4-thiazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62287310
N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine
CID 62776416
N-[(2-aminophenyl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine
CID 66418244

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine (CID 62293470) is N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cccnc1-n1ccnc1C.
What is the InChIKey of N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is CCSBAIIERCXDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-6-14-10-12-5-4-7-16-13(12)17-9-8-15-11(17)2/h4-5,7-9,14H,3,6,10H2,1-2H3.
What are the key properties of N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine?
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 230.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62293470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).