N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine

C13H18N2 — CID 142231865

IUPACN-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
SMILESCCCN(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C13H18N2/c1-3-8-15(2)10-11-9-14-13-7-5-4-6-12(11)13/h4-7,9,14H,3,8,10H2,1-2H3
InChIKeyGBBZZHSLQRWVNB-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.01
Rot. Bonds4

About N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine

N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine (PubChem CID 142231865) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
PubChem CID142231865
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
SMILESCCCN(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C13H18N2/c1-3-8-15(2)10-11-9-14-13-7-5-4-6-12(11)13/h4-7,9,14H,3,8,10H2,1-2H3
InChIKeyGBBZZHSLQRWVNB-UHFFFAOYSA-N
XLogP3.01
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-(1H-indol-3-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 113409137
2-[1H-indol-3-ylmethyl(methyl)amino]acetamide
CID 115259992
5-[1H-indol-3-ylmethyl(methyl)amino]pentanoic acid
CID 115219091
3-[1H-indol-3-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 65067496
3-ethyl-1H-indole;methanamine
CID 142222050
N-benzyl-2-(1H-indol-3-yl)-N-methylethanamine;formaldehyde;propane;undecane
CID 143452594
(E)-4-[1H-indol-3-ylmethyl(methyl)amino]but-2-enoic acid
CID 115237209
N-(1-benzofuran-3-ylmethyl)-2-(1H-indol-3-yl)-N-methylethanamine
CID 141098379
2-(1H-indol-3-ylmethyl)-1,1-dimethylhydrazine
CID 83003617
N'-(1H-indol-3-ylmethyl)-N,N,N'-trimethylethene-1,2-diamine
CID 66852692
[2-(1H-indol-3-yl)ethyl-methylamino]methanol
CID 115229481
N-(chloromethyl)-2-(1H-indol-3-yl)-N-methylethanamine
CID 115263517

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine?
The IUPAC name of N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine (CID 142231865) is N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine is CCCN(C)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine?
The InChIKey is GBBZZHSLQRWVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-8-15(2)10-11-9-14-13-7-5-4-6-12(11)13/h4-7,9,14H,3,8,10H2,1-2H3.
What are the key properties of N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine?
N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine has a molecular weight of 202.30 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine is sourced from PubChem (CID 142231865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).