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

C13H19N3 — CID 115206245

IUPACN-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNc1c[nH]c2ccccc12
InChIInChI=1S/C13H19N3/c1-10(2)14-7-8-15-13-9-16-12-6-4-3-5-11(12)13/h3-6,9-10,14-16H,7-8H2,1-2H3
InChIKeyNPTXHKPGBHQISB-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.58
Rot. Bonds5

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

N-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 115206245) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID115206245
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNc1c[nH]c2ccccc12
InChIInChI=1S/C13H19N3/c1-10(2)14-7-8-15-13-9-16-12-6-4-3-5-11(12)13/h3-6,9-10,14-16H,7-8H2,1-2H3
InChIKeyNPTXHKPGBHQISB-UHFFFAOYSA-N
XLogP2.58
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(1H-indol-3-yl)-N-methylethane-1,2-diamine
CID 115195726
1-N-(1H-indol-3-yl)butane-1,3-diamine
CID 115199018
N-ethyl-1H-indol-3-amine
CID 22497863
N'-(1H-indol-3-yl)-N-methylbutane-1,4-diamine
CID 115201685
N-(2-methylbutyl)-1H-indol-3-amine
CID 175206983
1-N-(1H-indol-3-yl)-3-methylbutane-1,3-diamine
CID 115200367
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
N-naphthalen-1-yl-N'-propan-2-ylethane-1,2-diamine
CID 115206310
N'-(1H-indol-3-yl)methanediamine
CID 115225408
N-prop-2-ynyl-1H-indol-3-amine
CID 57486159
N'-(1H-indol-3-yl)-2-propan-2-ylpropane-1,3-diamine
CID 115252326
N'-(1H-indol-3-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 113409137

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine (CID 115206245) is N-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine is CC(C)NCCNc1c[nH]c2ccccc12.
What is the InChIKey of N-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is NPTXHKPGBHQISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-10(2)14-7-8-15-13-9-16-12-6-4-3-5-11(12)13/h3-6,9-10,14-16H,7-8H2,1-2H3.
What are the key properties of N-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine?
N-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 217.32 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 115206245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).