N-[[4-(2-methylimidazol-1-yl)-2-pyridinyl]methyl]propan-1-amine

C13H18N4 — CID 55059175

IUPACN-[[4-(2-methylimidazol-1-yl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(-n2ccnc2C)ccn1
InChIInChI=1S/C13H18N4/c1-3-5-14-10-12-9-13(4-6-16-12)17-8-7-15-11(17)2/h4,6-9,14H,3,5,10H2,1-2H3
InChIKeyDGUDYZYIKOYKGS-UHFFFAOYSA-N
MW230.32 g/mol
LogP2.08
Rot. Bonds5

About N-[[4-(2-methylimidazol-1-yl)-2-pyridinyl]methyl]propan-1-amine

N-[[4-(2-methylimidazol-1-yl)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 55059175) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is N-[[4-(2-methylimidazol-1-yl)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-methylimidazol-1-yl)-2-pyridinyl]methyl]propan-1-amine
PubChem CID55059175
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC NameN-[[4-(2-methylimidazol-1-yl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(-n2ccnc2C)ccn1
InChIInChI=1S/C13H18N4/c1-3-5-14-10-12-9-13(4-6-16-12)17-8-7-15-11(17)2/h4,6-9,14H,3,5,10H2,1-2H3
InChIKeyDGUDYZYIKOYKGS-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-methyl-1-[4-(2-methylimidazol-1-yl)-2-pyridinyl]methanamine
CID 62292766
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62293470
N-[[4-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine
CID 62289577
N-[[4-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine
CID 114539949
N-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 62291375
N-[[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-pyridinyl]methyl]propan-1-amine
CID 62281573
N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]propan-1-amine
CID 79945267
N-propyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 62282319
N-(cyclopropylmethyl)-N-methyl-2-(propylaminomethyl)pyridin-4-amine
CID 55059107
N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 46785088
N-[[2-(2-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]propan-1-amine
CID 43478576
N-[[4-methyl-3-(2-propylimidazol-1-yl)phenyl]methyl]propan-1-amine
CID 105406336

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylimidazol-1-yl)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(2-methylimidazol-1-yl)-2-pyridinyl]methyl]propan-1-amine (CID 55059175) is N-[[4-(2-methylimidazol-1-yl)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2-methylimidazol-1-yl)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(2-methylimidazol-1-yl)-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cc(-n2ccnc2C)ccn1.
What is the InChIKey of N-[[4-(2-methylimidazol-1-yl)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is DGUDYZYIKOYKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-5-14-10-12-9-13(4-6-16-12)17-8-7-15-11(17)2/h4,6-9,14H,3,5,10H2,1-2H3.
What are the key properties of N-[[4-(2-methylimidazol-1-yl)-2-pyridinyl]methyl]propan-1-amine?
N-[[4-(2-methylimidazol-1-yl)-2-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-[[4-(2-methylimidazol-1-yl)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 55059175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).