2-N-[2-(1-methylindol-5-yl)propan-2-yl]propane-1,2-diamine

C15H23N3 — CID 123605068

IUPAC2-N-[2-(1-methylindol-5-yl)propan-2-yl]propane-1,2-diamine
SMILESCC(CN)NC(C)(C)c1ccc2c(ccn2C)c1
InChIInChI=1S/C15H23N3/c1-11(10-16)17-15(2,3)13-5-6-14-12(9-13)7-8-18(14)4/h5-9,11,17H,10,16H2,1-4H3
InChIKeyNLPPPHOQJWPVQF-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.35
Rot. Bonds4

About 2-N-[2-(1-methylindol-5-yl)propan-2-yl]propane-1,2-diamine

2-N-[2-(1-methylindol-5-yl)propan-2-yl]propane-1,2-diamine (PubChem CID 123605068) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-N-[2-(1-methylindol-5-yl)propan-2-yl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(1-methylindol-5-yl)propan-2-yl]propane-1,2-diamine
PubChem CID123605068
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-N-[2-(1-methylindol-5-yl)propan-2-yl]propane-1,2-diamine
SMILESCC(CN)NC(C)(C)c1ccc2c(ccn2C)c1
InChIInChI=1S/C15H23N3/c1-11(10-16)17-15(2,3)13-5-6-14-12(9-13)7-8-18(14)4/h5-9,11,17H,10,16H2,1-4H3
InChIKeyNLPPPHOQJWPVQF-UHFFFAOYSA-N
XLogP2.35
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-[2-(1-methylindol-5-yl)propan-2-yl]propane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(1-methylindol-5-yl)propan-2-yl]propane-1,2-diamine?
The IUPAC name of 2-N-[2-(1-methylindol-5-yl)propan-2-yl]propane-1,2-diamine (CID 123605068) is 2-N-[2-(1-methylindol-5-yl)propan-2-yl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(1-methylindol-5-yl)propan-2-yl]propane-1,2-diamine?
The canonical SMILES for 2-N-[2-(1-methylindol-5-yl)propan-2-yl]propane-1,2-diamine is CC(CN)NC(C)(C)c1ccc2c(ccn2C)c1.
What is the InChIKey of 2-N-[2-(1-methylindol-5-yl)propan-2-yl]propane-1,2-diamine?
The InChIKey is NLPPPHOQJWPVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-11(10-16)17-15(2,3)13-5-6-14-12(9-13)7-8-18(14)4/h5-9,11,17H,10,16H2,1-4H3.
What are the key properties of 2-N-[2-(1-methylindol-5-yl)propan-2-yl]propane-1,2-diamine?
2-N-[2-(1-methylindol-5-yl)propan-2-yl]propane-1,2-diamine has a molecular weight of 245.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(1-methylindol-5-yl)propan-2-yl]propane-1,2-diamine is sourced from PubChem (CID 123605068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).