N-heptyl-2-(2-methylimidazol-1-yl)pyridin-3-amine

C16H24N4 — CID 60945336

IUPACN-heptyl-2-(2-methylimidazol-1-yl)pyridin-3-amine
SMILESCCCCCCCNc1cccnc1-n1ccnc1C
InChIInChI=1S/C16H24N4/c1-3-4-5-6-7-10-18-15-9-8-11-19-16(15)20-13-12-17-14(20)2/h8-9,11-13,18H,3-7,10H2,1-2H3
InChIKeyYCHRAJZORBYQSJ-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.96
Rot. Bonds8

About N-heptyl-2-(2-methylimidazol-1-yl)pyridin-3-amine

N-heptyl-2-(2-methylimidazol-1-yl)pyridin-3-amine (PubChem CID 60945336) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-heptyl-2-(2-methylimidazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-heptyl-2-(2-methylimidazol-1-yl)pyridin-3-amine
PubChem CID60945336
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-heptyl-2-(2-methylimidazol-1-yl)pyridin-3-amine
SMILESCCCCCCCNc1cccnc1-n1ccnc1C
InChIInChI=1S/C16H24N4/c1-3-4-5-6-7-10-18-15-9-8-11-19-16(15)20-13-12-17-14(20)2/h8-9,11-13,18H,3-7,10H2,1-2H3
InChIKeyYCHRAJZORBYQSJ-UHFFFAOYSA-N
XLogP3.96
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.96
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

2-(2-methylimidazol-1-yl)-N-(3-methylsulfanylpropyl)pyridin-3-amine
CID 54863468
N-pentyl-2-pyrazol-1-ylpyridin-3-amine
CID 43736889
N-pentyl-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676361
N-heptan-4-yl-2-(2-methylimidazol-1-yl)pyridin-3-amine
CID 60945603
N-(cyclopropylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine
CID 54863456
2-methyl-2-[[[2-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]butan-1-ol
CID 81419902
N-hexyl-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167520
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]ethanesulfonamide
CID 64584172
2-(2-methylimidazol-1-yl)-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 60944674
N-cyclopropyl-2-(2-methylimidazol-1-yl)pyridin-3-amine
CID 103439170
N-[(2-aminophenyl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine
CID 66418244
2-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-3-amine
CID 62741938

Frequently Asked Questions

What is the IUPAC name of N-heptyl-2-(2-methylimidazol-1-yl)pyridin-3-amine?
The IUPAC name of N-heptyl-2-(2-methylimidazol-1-yl)pyridin-3-amine (CID 60945336) is N-heptyl-2-(2-methylimidazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-heptyl-2-(2-methylimidazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-heptyl-2-(2-methylimidazol-1-yl)pyridin-3-amine is CCCCCCCNc1cccnc1-n1ccnc1C.
What is the InChIKey of N-heptyl-2-(2-methylimidazol-1-yl)pyridin-3-amine?
The InChIKey is YCHRAJZORBYQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-3-4-5-6-7-10-18-15-9-8-11-19-16(15)20-13-12-17-14(20)2/h8-9,11-13,18H,3-7,10H2,1-2H3.
What are the key properties of N-heptyl-2-(2-methylimidazol-1-yl)pyridin-3-amine?
N-heptyl-2-(2-methylimidazol-1-yl)pyridin-3-amine has a molecular weight of 272.40 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-2-(2-methylimidazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 60945336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).