2-(1H-indol-2-yl)propane-1,3-diamine

C11H15N3 — CID 46184304

IUPAC2-(1H-indol-2-yl)propane-1,3-diamine
SMILESNCC(CN)c1cc2ccccc2[nH]1
InChIInChI=1S/C11H15N3/c12-6-9(7-13)11-5-8-3-1-2-4-10(8)14-11/h1-5,9,14H,6-7,12-13H2
InChIKeyXWGCZYXJHMIVDY-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.17
Rot. Bonds3

About 2-(1H-indol-2-yl)propane-1,3-diamine

2-(1H-indol-2-yl)propane-1,3-diamine (PubChem CID 46184304) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(1H-indol-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2-(1H-indol-2-yl)propane-1,3-diamine
PubChem CID46184304
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-(1H-indol-2-yl)propane-1,3-diamine
SMILESNCC(CN)c1cc2ccccc2[nH]1
InChIInChI=1S/C11H15N3/c12-6-9(7-13)11-5-8-3-1-2-4-10(8)14-11/h1-5,9,14H,6-7,12-13H2
InChIKeyXWGCZYXJHMIVDY-UHFFFAOYSA-N
XLogP1.17
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(1H-indol-2-yl)ethanol
CID 82599143
2-[1,3-bis(disulfanyl)propan-2-yl]-1H-indole
CID 130223994
(1R)-3-amino-1-(1H-indol-2-yl)propan-1-ol
CID 96625080
3-(1-aminobutan-2-yl)-1H-quinolin-2-one
CID 116985056
2-chloro-2-(1H-indol-2-yl)acetamide
CID 173051897
1-(1H-indol-2-yl)-2-methylpropan-1-ol
CID 91442586
1-(3-aminopropylamino)-2-(1H-indol-2-yl)ethane-1,2-diol
CID 174391430
2-(1H-indol-2-yl)propanal
CID 88965178
2-[(2-chlorophenyl)-(1H-indol-2-yl)methyl]-1H-indole
CID 132599095
2-hydroxy-2-(1H-indol-2-yl)acetonitrile
CID 84654386
1-(1H-indol-2-yl)prop-2-yn-1-ol
CID 172559122
2-(1-methylsulfonylethyl)-1H-indole
CID 173051925

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-2-yl)propane-1,3-diamine?
The IUPAC name of 2-(1H-indol-2-yl)propane-1,3-diamine (CID 46184304) is 2-(1H-indol-2-yl)propane-1,3-diamine.
What is the SMILES notation for 2-(1H-indol-2-yl)propane-1,3-diamine?
The canonical SMILES for 2-(1H-indol-2-yl)propane-1,3-diamine is NCC(CN)c1cc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-indol-2-yl)propane-1,3-diamine?
The InChIKey is XWGCZYXJHMIVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c12-6-9(7-13)11-5-8-3-1-2-4-10(8)14-11/h1-5,9,14H,6-7,12-13H2.
What are the key properties of 2-(1H-indol-2-yl)propane-1,3-diamine?
2-(1H-indol-2-yl)propane-1,3-diamine has a molecular weight of 189.26 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-2-yl)propane-1,3-diamine is sourced from PubChem (CID 46184304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).