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

C13H19N3 — CID 116935052

IUPAC1-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCC(N)c1c[nH]c2ccccc12
InChIInChI=1S/C13H19N3/c1-9(2)15-8-12(14)11-7-16-13-6-4-3-5-10(11)13/h3-7,9,12,15-16H,8,14H2,1-2H3
InChIKeyQUIASAQZYQKZSK-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.17
Rot. Bonds4

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

1-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 116935052) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID116935052
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCC(N)c1c[nH]c2ccccc12
InChIInChI=1S/C13H19N3/c1-9(2)15-8-12(14)11-7-16-13-6-4-3-5-10(11)13/h3-7,9,12,15-16H,8,14H2,1-2H3
InChIKeyQUIASAQZYQKZSK-UHFFFAOYSA-N
XLogP2.17
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-1-(1H-indol-3-yl)ethane-1,2-diamine
CID 116934899
1-[[(5R)-5-amino-5-(1H-indol-3-yl)pentyl]amino]ethanol
CID 163917154
3-propan-2-yl-1H-indole
CID 12534824
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
(1R)-1-(1H-indol-3-yl)-2-methylbutan-1-amine
CID 171197987
(1S)-1-(1H-indol-3-yl)but-3-en-1-amine
CID 55270742
(1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride
CID 171197968
2-(1H-indol-3-yl)propan-1-amine;hydrochloride
CID 11970278
(1S)-1-(1H-indol-3-yl)pentane-1,5-diamine
CID 171217468
(1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine
CID 131535143
1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine
CID 116909089
[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium
CID 2374175

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine (CID 116935052) is 1-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine is CC(C)NCC(N)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is QUIASAQZYQKZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-9(2)15-8-12(14)11-7-16-13-6-4-3-5-10(11)13/h3-7,9,12,15-16H,8,14H2,1-2H3.
What are the key properties of 1-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine?
1-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 217.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 116935052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).