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

C17H27N3 — CID 106040437

IUPACN'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(C)CCCNCc1cn(C)c2ccccc12
InChIInChI=1S/C17H27N3/c1-14(2)19(3)11-7-10-18-12-15-13-20(4)17-9-6-5-8-16(15)17/h5-6,8-9,13-14,18H,7,10-12H2,1-4H3
InChIKeyZZCHOCMUFMDFJO-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.00
Rot. Bonds7

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

N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 106040437) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
PubChem CID106040437
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(C)CCCNCc1cn(C)c2ccccc12
InChIInChI=1S/C17H27N3/c1-14(2)19(3)11-7-10-18-12-15-13-20(4)17-9-6-5-8-16(15)17/h5-6,8-9,13-14,18H,7,10-12H2,1-4H3
InChIKeyZZCHOCMUFMDFJO-UHFFFAOYSA-N
XLogP3.00
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.00
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-ylethane-1,2-diamine
CID 107235630
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]-3-(2-methylpropoxy)propan-1-amine
CID 107234778
N-[(1-methylindol-3-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 107236224
N-(1-benzofuran-3-ylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103826256
N-[(2-ethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040849
5-[(1-methylindol-3-yl)methylamino]pentanamide
CID 106233935
ethyl 4-[(1-methylindol-3-yl)methylamino]butanoate
CID 65072383
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
3-(1H-imidazol-2-yl)-N-[(1-methylindol-3-yl)methyl]propan-1-amine
CID 107236269
2,3,3-trimethyl-N-[(1-methylindol-3-yl)methyl]butan-1-amine
CID 107236106

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine (CID 106040437) is N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine is CC(C)N(C)CCCNCc1cn(C)c2ccccc12.
What is the InChIKey of N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is ZZCHOCMUFMDFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-14(2)19(3)11-7-10-18-12-15-13-20(4)17-9-6-5-8-16(15)17/h5-6,8-9,13-14,18H,7,10-12H2,1-4H3.
What are the key properties of N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine?
N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 273.42 g/mol, XLogP of 3.00, 7 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-ylpropane-1,3-diamine is sourced from PubChem (CID 106040437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).