N'-(1H-indol-3-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine

C15H23N3 — CID 113409137

IUPACN'-(1H-indol-3-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCN(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H23N3/c1-12(2)16-8-9-18(3)11-13-10-17-15-7-5-4-6-14(13)15/h4-7,10,12,16-17H,8-9,11H2,1-3H3
InChIKeyDSJYHFLQGOYBIO-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.60
Rot. Bonds6

About N'-(1H-indol-3-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine

N'-(1H-indol-3-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 113409137) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N'-(1H-indol-3-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1H-indol-3-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
PubChem CID113409137
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN'-(1H-indol-3-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCN(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H23N3/c1-12(2)16-8-9-18(3)11-13-10-17-15-7-5-4-6-14(13)15/h4-7,10,12,16-17H,8-9,11H2,1-3H3
InChIKeyDSJYHFLQGOYBIO-UHFFFAOYSA-N
XLogP2.60
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
CID 142231865
(Z)-but-2-enedioic acid;N-[2-(1H-indol-3-yl)ethyl]propan-2-amine
CID 5380391
3-[1H-indol-3-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 65067496
2-[1H-indol-3-ylmethyl(methyl)amino]acetamide
CID 115259992
5-[1H-indol-3-ylmethyl(methyl)amino]pentanoic acid
CID 115219091
N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-2-amine
CID 43202427
2-[1H-indol-3-ylmethyl(methyl)amino]propanenitrile
CID 115130271
N'-(1H-indol-3-ylmethyl)-N,N,N'-trimethylethene-1,2-diamine
CID 66852692
N-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 115206245
N-(1H-indol-3-ylmethyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 156849664
(2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-(1H-indol-3-yl)propanamide
CID 62642036
(E)-4-[1H-indol-3-ylmethyl(methyl)amino]but-2-enoic acid
CID 115237209

Frequently Asked Questions

What is the IUPAC name of N'-(1H-indol-3-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-(1H-indol-3-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine (CID 113409137) is N'-(1H-indol-3-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(1H-indol-3-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(1H-indol-3-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine is CC(C)NCCN(C)Cc1c[nH]c2ccccc12.
What is the InChIKey of N'-(1H-indol-3-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The InChIKey is DSJYHFLQGOYBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-12(2)16-8-9-18(3)11-13-10-17-15-7-5-4-6-14(13)15/h4-7,10,12,16-17H,8-9,11H2,1-3H3.
What are the key properties of N'-(1H-indol-3-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
N'-(1H-indol-3-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 245.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-indol-3-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 113409137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).