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

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Related Compounds

2-methyl-2-(1-methylindol-5-yl)propan-1-ol
CID 117291936
2-methyl-2-(1-methylindol-5-yl)propanoic acid
CID 115114970
3-amino-2-methyl-N-(1-methylindol-5-yl)propanamide
CID 110838398
1-[(1-methylindol-5-yl)amino]propan-2-ol
CID 82539777
O-[(1-methylindol-5-yl)methyl]hydroxylamine
CID 83481903
1-(1-methylindol-5-yl)ethanol
CID 83387761
5-butan-2-yl-1-methylindole;ethane
CID 143601269
4-tert-butyl-N-(1-methylindol-5-yl)benzamide
CID 70990201
3-amino-3-methyl-N-(1-methylindol-5-yl)butanamide
CID 110838357
5-iodo-1-methylindole
CID 11322835
3-(1-methylindol-5-yl)oxypropan-1-amine
CID 84672497
1,7-dimethylpyrrolo[3,2-f]indole
CID 170295030

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).