(Z)-3-(5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-3-methyl-4,4a-dihydrocyclopenta[b]pyridin-6-yl)-2-methylprop-2-en-1-amine

C25H30N2 — CID 71192691

IUPAC(Z)-3-(5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-3-methyl-4,4a-dihydrocyclopenta[b]pyridin-6-yl)-2-methylprop-2-en-1-amine
SMILESCC1=CN=C2C=C(/C=C(/C)CN)C(C3=CCCC=C3)(C3C=CC=CC3)C2C1
InChIInChI=1S/C25H30N2/c1-18(16-26)13-22-15-24-23(14-19(2)17-27-24)25(22,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3,5-7,9,11-13,15,17,20,23H,4,8,10,14,16,26H2,1-2H3/b18-13-
InChIKeySFVQJEMYDNUVAD-AQTBWJFISA-N
MW358.53 g/mol
LogP5.59
Rot. Bonds4

About (Z)-3-(5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-3-methyl-4,4a-dihydrocyclopenta[b]pyridin-6-yl)-2-methylprop-2-en-1-amine

(Z)-3-(5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-3-methyl-4,4a-dihydrocyclopenta[b]pyridin-6-yl)-2-methylprop-2-en-1-amine (PubChem CID 71192691) has the molecular formula C25H30N2 and a molecular weight of 358.53 g/mol. Its IUPAC name is (Z)-3-(5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-3-methyl-4,4a-dihydrocyclopenta[b]pyridin-6-yl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-3-methyl-4,4a-dihydrocyclopenta[b]pyridin-6-yl)-2-methylprop-2-en-1-amine
PubChem CID71192691
Molecular FormulaC25H30N2
Molecular Weight358.53 g/mol
Exact Mass358.24
IUPAC Name(Z)-3-(5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-3-methyl-4,4a-dihydrocyclopenta[b]pyridin-6-yl)-2-methylprop-2-en-1-amine
SMILESCC1=CN=C2C=C(/C=C(/C)CN)C(C3=CCCC=C3)(C3C=CC=CC3)C2C1
InChIInChI=1S/C25H30N2/c1-18(16-26)13-22-15-24-23(14-19(2)17-27-24)25(22,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3,5-7,9,11-13,15,17,20,23H,4,8,10,14,16,26H2,1-2H3/b18-13-
InChIKeySFVQJEMYDNUVAD-AQTBWJFISA-N
XLogP5.59
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (Z)-3-(5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-3-methyl-4,4a-dihydrocyclopenta[b]pyridin-6-yl)-2-methylprop-2-en-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-3-methyl-4,4a-dihydrocyclopenta[b]pyridin-6-yl)-2-methylprop-2-en-1-amine?
The IUPAC name of (Z)-3-(5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-3-methyl-4,4a-dihydrocyclopenta[b]pyridin-6-yl)-2-methylprop-2-en-1-amine (CID 71192691) is (Z)-3-(5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-3-methyl-4,4a-dihydrocyclopenta[b]pyridin-6-yl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for (Z)-3-(5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-3-methyl-4,4a-dihydrocyclopenta[b]pyridin-6-yl)-2-methylprop-2-en-1-amine?
The canonical SMILES for (Z)-3-(5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-3-methyl-4,4a-dihydrocyclopenta[b]pyridin-6-yl)-2-methylprop-2-en-1-amine is CC1=CN=C2C=C(/C=C(/C)CN)C(C3=CCCC=C3)(C3C=CC=CC3)C2C1.
What is the InChIKey of (Z)-3-(5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-3-methyl-4,4a-dihydrocyclopenta[b]pyridin-6-yl)-2-methylprop-2-en-1-amine?
The InChIKey is SFVQJEMYDNUVAD-AQTBWJFISA-N. The full InChI is InChI=1S/C25H30N2/c1-18(16-26)13-22-15-24-23(14-19(2)17-27-24)25(22,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3,5-7,9,11-13,15,17,20,23H,4,8,10,14,16,26H2,1-2H3/b18-13-.
What are the key properties of (Z)-3-(5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-3-methyl-4,4a-dihydrocyclopenta[b]pyridin-6-yl)-2-methylprop-2-en-1-amine?
(Z)-3-(5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-3-methyl-4,4a-dihydrocyclopenta[b]pyridin-6-yl)-2-methylprop-2-en-1-amine has a molecular weight of 358.53 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-3-methyl-4,4a-dihydrocyclopenta[b]pyridin-6-yl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 71192691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).