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

C14H21N3 — CID 115252326

IUPACN'-(1H-indol-3-yl)-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNc1c[nH]c2ccccc12
InChIInChI=1S/C14H21N3/c1-10(2)11(7-15)8-16-14-9-17-13-6-4-3-5-12(13)14/h3-6,9-11,16-17H,7-8,15H2,1-2H3
InChIKeyPEBHSBGEAADMOC-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.81
Rot. Bonds5

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

N'-(1H-indol-3-yl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 115252326) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N'-(1H-indol-3-yl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1H-indol-3-yl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID115252326
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN'-(1H-indol-3-yl)-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNc1c[nH]c2ccccc12
InChIInChI=1S/C14H21N3/c1-10(2)11(7-15)8-16-14-9-17-13-6-4-3-5-12(13)14/h3-6,9-11,16-17H,7-8,15H2,1-2H3
InChIKeyPEBHSBGEAADMOC-UHFFFAOYSA-N
XLogP2.81
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylbutyl)-1H-indol-3-amine
CID 175206983
N'-(1H-indol-3-yl)methanediamine
CID 115225408
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'-propan-2-ylethane-1,2-diamine
CID 115206245
methyl 2-[(1H-indol-3-ylamino)methyl]butanoate
CID 115252999
N-prop-2-ynyl-1H-indol-3-amine
CID 57486159
N'-(1H-indol-3-yl)-N-methylethane-1,2-diamine
CID 115195726
1-N-(1H-indol-3-yl)-3-methylbutane-1,3-diamine
CID 115200367
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
N'-(1H-indol-3-yl)-N-methylbutane-1,4-diamine
CID 115201685
2-(1H-indol-3-yl)propan-1-amine;hydrochloride
CID 11970278

Frequently Asked Questions

What is the IUPAC name of N'-(1H-indol-3-yl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(1H-indol-3-yl)-2-propan-2-ylpropane-1,3-diamine (CID 115252326) is N'-(1H-indol-3-yl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(1H-indol-3-yl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(1H-indol-3-yl)-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)CNc1c[nH]c2ccccc12.
What is the InChIKey of N'-(1H-indol-3-yl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is PEBHSBGEAADMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-10(2)11(7-15)8-16-14-9-17-13-6-4-3-5-12(13)14/h3-6,9-11,16-17H,7-8,15H2,1-2H3.
What are the key properties of N'-(1H-indol-3-yl)-2-propan-2-ylpropane-1,3-diamine?
N'-(1H-indol-3-yl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 231.34 g/mol, XLogP of 2.81, 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)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 115252326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).