1-(1H-indol-6-yl)propane-1,3-diamine

C11H15N3 — CID 131197541

IUPAC1-(1H-indol-6-yl)propane-1,3-diamine
SMILESNCCC(N)c1ccc2cc[nH]c2c1
InChIInChI=1S/C11H15N3/c12-5-3-10(13)9-2-1-8-4-6-14-11(8)7-9/h1-2,4,6-7,10,14H,3,5,12-13H2
InChIKeyCOGFPBKNNFCRHS-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.52
Rot. Bonds3

About 1-(1H-indol-6-yl)propane-1,3-diamine

1-(1H-indol-6-yl)propane-1,3-diamine (PubChem CID 131197541) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(1H-indol-6-yl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(1H-indol-6-yl)propane-1,3-diamine
PubChem CID131197541
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name1-(1H-indol-6-yl)propane-1,3-diamine
SMILESNCCC(N)c1ccc2cc[nH]c2c1
InChIInChI=1S/C11H15N3/c12-5-3-10(13)9-2-1-8-4-6-14-11(8)7-9/h1-2,4,6-7,10,14H,3,5,12-13H2
InChIKeyCOGFPBKNNFCRHS-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-3-fluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride
CID 171225183
(1S)-1-(1H-indol-6-yl)pentan-1-amine
CID 171225173
(1S)-1-(1H-indol-6-yl)-4-methylpentan-1-amine;hydrochloride
CID 171225201
3-(1H-indol-6-yl)butan-1-amine
CID 82602760
(1S)-1-(1H-indol-6-yl)pent-4-en-1-amine
CID 171225195
1-(1H-indol-6-yl)-N',N'-dimethylbutane-1,4-diamine
CID 54056751
(3R)-3-(1H-indol-6-yl)-3-phenylpropan-1-amine
CID 124567431
(1R)-3,3-difluoro-1-(1H-indol-6-yl)propan-1-amine
CID 131447167
(1R)-1-(1H-indol-5-yl)pentane-1,5-diamine;hydrochloride
CID 171205545
(1S)-2,2-difluoro-1-(1H-indol-6-yl)ethanamine
CID 130708718
3-amino-3-(1H-indol-5-yl)propan-1-ol
CID 55273219
3-amino-1-(1H-indol-6-yl)propane-1,2-diol
CID 170828204

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-6-yl)propane-1,3-diamine?
The IUPAC name of 1-(1H-indol-6-yl)propane-1,3-diamine (CID 131197541) is 1-(1H-indol-6-yl)propane-1,3-diamine.
What is the SMILES notation for 1-(1H-indol-6-yl)propane-1,3-diamine?
The canonical SMILES for 1-(1H-indol-6-yl)propane-1,3-diamine is NCCC(N)c1ccc2cc[nH]c2c1.
What is the InChIKey of 1-(1H-indol-6-yl)propane-1,3-diamine?
The InChIKey is COGFPBKNNFCRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c12-5-3-10(13)9-2-1-8-4-6-14-11(8)7-9/h1-2,4,6-7,10,14H,3,5,12-13H2.
What are the key properties of 1-(1H-indol-6-yl)propane-1,3-diamine?
1-(1H-indol-6-yl)propane-1,3-diamine has a molecular weight of 189.26 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-6-yl)propane-1,3-diamine is sourced from PubChem (CID 131197541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).