N-[(3-heptan-2-ylimidazol-4-yl)methyl]propan-1-amine

C14H27N3 — CID 66148416

IUPACN-[(3-heptan-2-ylimidazol-4-yl)methyl]propan-1-amine
SMILESCCCCCC(C)n1cncc1CNCCC
InChIInChI=1S/C14H27N3/c1-4-6-7-8-13(3)17-12-16-11-14(17)10-15-9-5-2/h11-13,15H,4-10H2,1-3H3
InChIKeyZSWUTWHPJGOAMZ-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.52
Rot. Bonds9

About N-[(3-heptan-2-ylimidazol-4-yl)methyl]propan-1-amine

N-[(3-heptan-2-ylimidazol-4-yl)methyl]propan-1-amine (PubChem CID 66148416) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[(3-heptan-2-ylimidazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-heptan-2-ylimidazol-4-yl)methyl]propan-1-amine
PubChem CID66148416
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-[(3-heptan-2-ylimidazol-4-yl)methyl]propan-1-amine
SMILESCCCCCC(C)n1cncc1CNCCC
InChIInChI=1S/C14H27N3/c1-4-6-7-8-13(3)17-12-16-11-14(17)10-15-9-5-2/h11-13,15H,4-10H2,1-3H3
InChIKeyZSWUTWHPJGOAMZ-UHFFFAOYSA-N
XLogP3.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.52
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

N-[(3-pentan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66147531
N-[(3-hexan-2-ylimidazol-4-yl)methyl]propan-2-amine
CID 66149295
N-[(3-butan-2-ylimidazol-4-yl)methyl]-2-methoxyethanamine
CID 66148790
N-[[3-(dicyclopropylmethyl)imidazol-4-yl]methyl]propan-1-amine
CID 66151948
N-[[3-(1-ethoxy-3-methylbutan-2-yl)imidazol-4-yl]methyl]propan-1-amine
CID 114115032
N-[[3-[1-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 114286408
2-methoxy-N-[[3-(4-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine
CID 66148185
N'-[(3-propan-2-ylimidazol-4-yl)methyl]propane-1,3-diamine
CID 66132307
N'-[(3-methylimidazol-4-yl)methyl]-N-propylpropane-1,3-diamine
CID 103510884
N-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine
CID 66118440
5-cyclopropyl-1-heptan-2-ylimidazole
CID 116811645
N'-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,4-diamine
CID 66132309

Frequently Asked Questions

What is the IUPAC name of N-[(3-heptan-2-ylimidazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-heptan-2-ylimidazol-4-yl)methyl]propan-1-amine (CID 66148416) is N-[(3-heptan-2-ylimidazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-heptan-2-ylimidazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-heptan-2-ylimidazol-4-yl)methyl]propan-1-amine is CCCCCC(C)n1cncc1CNCCC.
What is the InChIKey of N-[(3-heptan-2-ylimidazol-4-yl)methyl]propan-1-amine?
The InChIKey is ZSWUTWHPJGOAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-6-7-8-13(3)17-12-16-11-14(17)10-15-9-5-2/h11-13,15H,4-10H2,1-3H3.
What are the key properties of N-[(3-heptan-2-ylimidazol-4-yl)methyl]propan-1-amine?
N-[(3-heptan-2-ylimidazol-4-yl)methyl]propan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-heptan-2-ylimidazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 66148416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).