3-(1H-imidazol-2-yl)-N-[(1-methylindol-3-yl)methyl]propan-1-amine

C16H20N4 — CID 107236269

IUPAC3-(1H-imidazol-2-yl)-N-[(1-methylindol-3-yl)methyl]propan-1-amine
SMILESCn1cc(CNCCCc2ncc[nH]2)c2ccccc21
InChIInChI=1S/C16H20N4/c1-20-12-13(14-5-2-3-6-15(14)20)11-17-8-4-7-16-18-9-10-19-16/h2-3,5-6,9-10,12,17H,4,7-8,11H2,1H3,(H,18,19)
InChIKeyQGBPVKCCHBEHSE-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.62
Rot. Bonds6

About 3-(1H-imidazol-2-yl)-N-[(1-methylindol-3-yl)methyl]propan-1-amine

3-(1H-imidazol-2-yl)-N-[(1-methylindol-3-yl)methyl]propan-1-amine (PubChem CID 107236269) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-N-[(1-methylindol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-N-[(1-methylindol-3-yl)methyl]propan-1-amine
PubChem CID107236269
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name3-(1H-imidazol-2-yl)-N-[(1-methylindol-3-yl)methyl]propan-1-amine
SMILESCn1cc(CNCCCc2ncc[nH]2)c2ccccc21
InChIInChI=1S/C16H20N4/c1-20-12-13(14-5-2-3-6-15(14)20)11-17-8-4-7-16-18-9-10-19-16/h2-3,5-6,9-10,12,17H,4,7-8,11H2,1H3,(H,18,19)
InChIKeyQGBPVKCCHBEHSE-UHFFFAOYSA-N
XLogP2.62
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(1-methylindol-3-yl)methylamino]propane-1-sulfonamide
CID 107235566
6-[(1-methylindol-3-yl)methylamino]hexan-1-ol
CID 107849119
N-[(1-methylindol-3-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 107236224
N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 107235485
N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 106040437
2-(1H-indol-3-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine;hydrochloride
CID 171155113
5-[(1-methylindol-3-yl)methylamino]pentanamide
CID 106233935
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 107235630
N-[(1-methylindol-3-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 107234778
ethyl 4-[(1-methylindol-3-yl)methylamino]butanoate
CID 65072383
3-[2-(1-methylindol-3-yl)ethylamino]propan-1-ol
CID 115217042

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-N-[(1-methylindol-3-yl)methyl]propan-1-amine?
The IUPAC name of 3-(1H-imidazol-2-yl)-N-[(1-methylindol-3-yl)methyl]propan-1-amine (CID 107236269) is 3-(1H-imidazol-2-yl)-N-[(1-methylindol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-N-[(1-methylindol-3-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(1H-imidazol-2-yl)-N-[(1-methylindol-3-yl)methyl]propan-1-amine is Cn1cc(CNCCCc2ncc[nH]2)c2ccccc21.
What is the InChIKey of 3-(1H-imidazol-2-yl)-N-[(1-methylindol-3-yl)methyl]propan-1-amine?
The InChIKey is QGBPVKCCHBEHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-20-12-13(14-5-2-3-6-15(14)20)11-17-8-4-7-16-18-9-10-19-16/h2-3,5-6,9-10,12,17H,4,7-8,11H2,1H3,(H,18,19).
What are the key properties of 3-(1H-imidazol-2-yl)-N-[(1-methylindol-3-yl)methyl]propan-1-amine?
3-(1H-imidazol-2-yl)-N-[(1-methylindol-3-yl)methyl]propan-1-amine has a molecular weight of 268.36 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-N-[(1-methylindol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 107236269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).