1-[6-(2-phenylethenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine

C24H25N3 — CID 66766011

IUPAC1-[6-(2-phenylethenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine
SMILESCCCC(N)Cc1ccc2c(n1)[nH]c1ccc(C=Cc3ccccc3)cc12
InChIInChI=1S/C24H25N3/c1-2-6-19(25)16-20-12-13-21-22-15-18(10-9-17-7-4-3-5-8-17)11-14-23(22)27-24(21)26-20/h3-5,7-15,19H,2,6,16,25H2,1H3,(H,26,27)
InChIKeyNLFTYGGKVWMUJE-UHFFFAOYSA-N
MW355.49 g/mol
LogP5.56
Rot. Bonds6

About 1-[6-(2-phenylethenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine

1-[6-(2-phenylethenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine (PubChem CID 66766011) has the molecular formula C24H25N3 and a molecular weight of 355.49 g/mol. Its IUPAC name is 1-[6-(2-phenylethenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine.

Molecular Properties

Compound Name1-[6-(2-phenylethenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine
PubChem CID66766011
Molecular FormulaC24H25N3
Molecular Weight355.49 g/mol
Exact Mass355.20
IUPAC Name1-[6-(2-phenylethenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine
SMILESCCCC(N)Cc1ccc2c(n1)[nH]c1ccc(C=Cc3ccccc3)cc12
InChIInChI=1S/C24H25N3/c1-2-6-19(25)16-20-12-13-21-22-15-18(10-9-17-7-4-3-5-8-17)11-14-23(22)27-24(21)26-20/h3-5,7-15,19H,2,6,16,25H2,1H3,(H,26,27)
InChIKeyNLFTYGGKVWMUJE-UHFFFAOYSA-N
XLogP5.56
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.49
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-phenylethenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine?
The IUPAC name of 1-[6-(2-phenylethenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine (CID 66766011) is 1-[6-(2-phenylethenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine.
What is the SMILES notation for 1-[6-(2-phenylethenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine?
The canonical SMILES for 1-[6-(2-phenylethenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine is CCCC(N)Cc1ccc2c(n1)[nH]c1ccc(C=Cc3ccccc3)cc12.
What is the InChIKey of 1-[6-(2-phenylethenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine?
The InChIKey is NLFTYGGKVWMUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3/c1-2-6-19(25)16-20-12-13-21-22-15-18(10-9-17-7-4-3-5-8-17)11-14-23(22)27-24(21)26-20/h3-5,7-15,19H,2,6,16,25H2,1H3,(H,26,27).
What are the key properties of 1-[6-(2-phenylethenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine?
1-[6-(2-phenylethenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine has a molecular weight of 355.49 g/mol, XLogP of 5.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-phenylethenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine is sourced from PubChem (CID 66766011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).