N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine

C16H25N3 — CID 107235630

IUPACN'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNCc1cn(C)c2ccccc12
InChIInChI=1S/C16H25N3/c1-13(2)18(3)10-9-17-11-14-12-19(4)16-8-6-5-7-15(14)16/h5-8,12-13,17H,9-11H2,1-4H3
InChIKeyINTZMKFKUSPUAN-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.61
Rot. Bonds6

About N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine

N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine (PubChem CID 107235630) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
PubChem CID107235630
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNCc1cn(C)c2ccccc12
InChIInChI=1S/C16H25N3/c1-13(2)18(3)10-9-17-11-14-12-19(4)16-8-6-5-7-15(14)16/h5-8,12-13,17H,9-11H2,1-4H3
InChIKeyINTZMKFKUSPUAN-UHFFFAOYSA-N
XLogP2.61
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.61
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'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 106040437
3-[(1-methylindol-3-yl)methylamino]propane-1-sulfonamide
CID 107235566
N-[(1-methylindol-3-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 107234778
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
2,3,3-trimethyl-N-[(1-methylindol-3-yl)methyl]butan-1-amine
CID 107236106
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
2-cyclobutyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107236202
N'-[(1-methylindol-3-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252487
2-(1H-indol-3-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine;hydrochloride
CID 171155113
2-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235324

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine (CID 107235630) is N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine is CC(C)N(C)CCNCc1cn(C)c2ccccc12.
What is the InChIKey of N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is INTZMKFKUSPUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-13(2)18(3)10-9-17-11-14-12-19(4)16-8-6-5-7-15(14)16/h5-8,12-13,17H,9-11H2,1-4H3.
What are the key properties of N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine?
N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 259.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 107235630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).