[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanamine

C14H17N3 — CID 116997248

IUPAC[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanamine
SMILESNCN1CC=C(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C14H17N3/c15-10-17-7-5-11(6-8-17)13-9-16-14-4-2-1-3-12(13)14/h1-5,9,16H,6-8,10,15H2
InChIKeyCQNZRMQVJDXICF-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.17
Rot. Bonds2

About [4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanamine

[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanamine (PubChem CID 116997248) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is [4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanamine.

Molecular Properties

Compound Name[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanamine
PubChem CID116997248
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanamine
SMILESNCN1CC=C(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C14H17N3/c15-10-17-7-5-11(6-8-17)13-9-16-14-4-2-1-3-12(13)14/h1-5,9,16H,6-8,10,15H2
InChIKeyCQNZRMQVJDXICF-UHFFFAOYSA-N
XLogP2.17
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanethiol
CID 116997247
1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-2-amine
CID 116997235
5-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2-oxazole
CID 71942846
5-chloro-4-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole
CID 39975216
2-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 44535079
3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 11164277
5-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 71943011
3-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-indole;hydrochloride
CID 10089396
2-[4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
CID 54300050
3-[3-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
CID 14580039
1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone
CID 113086670
ethyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carboxylate
CID 66863463

Frequently Asked Questions

What is the IUPAC name of [4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanamine?
The IUPAC name of [4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanamine (CID 116997248) is [4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanamine.
What is the SMILES notation for [4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanamine?
The canonical SMILES for [4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanamine is NCN1CC=C(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of [4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanamine?
The InChIKey is CQNZRMQVJDXICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c15-10-17-7-5-11(6-8-17)13-9-16-14-4-2-1-3-12(13)14/h1-5,9,16H,6-8,10,15H2.
What are the key properties of [4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanamine?
[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanamine has a molecular weight of 227.31 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanamine is sourced from PubChem (CID 116997248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).