phenyl-(6-phenyl-2-pyridinyl)methanamine;prop-1-ene;(E)-2,3,6-trimethylhept-3-ene

C31H42N2 — CID 142237417

IUPACphenyl-(6-phenyl-2-pyridinyl)methanamine;prop-1-ene;(E)-2,3,6-trimethylhept-3-ene
SMILESC/C(=C\CC(C)C)C(C)C.C=CC.NC(c1ccccc1)c1cccc(-c2ccccc2)n1
InChIInChI=1S/C18H16N2.C10H20.C3H6/c19-18(15-10-5-2-6-11-15)17-13-7-12-16(20-17)14-8-3-1-4-9-14;1-8(2)6-7-10(5)9(3)4;1-3-2/h1-13,18H,19H2;7-9H,6H2,1-5H3;3H,1H2,2H3/b;10-7+;
InChIKeyLIWOYOAIECNLGO-PIHOZGLFSA-N
MW442.69 g/mol
LogP8.62
Rot. Bonds6

About phenyl-(6-phenyl-2-pyridinyl)methanamine;prop-1-ene;(E)-2,3,6-trimethylhept-3-ene

phenyl-(6-phenyl-2-pyridinyl)methanamine;prop-1-ene;(E)-2,3,6-trimethylhept-3-ene (PubChem CID 142237417) has the molecular formula C31H42N2 and a molecular weight of 442.69 g/mol. Its IUPAC name is phenyl-(6-phenyl-2-pyridinyl)methanamine;prop-1-ene;(E)-2,3,6-trimethylhept-3-ene.

Molecular Properties

Compound Namephenyl-(6-phenyl-2-pyridinyl)methanamine;prop-1-ene;(E)-2,3,6-trimethylhept-3-ene
PubChem CID142237417
Molecular FormulaC31H42N2
Molecular Weight442.69 g/mol
Exact Mass442.33
IUPAC Namephenyl-(6-phenyl-2-pyridinyl)methanamine;prop-1-ene;(E)-2,3,6-trimethylhept-3-ene
SMILESC/C(=C\CC(C)C)C(C)C.C=CC.NC(c1ccccc1)c1cccc(-c2ccccc2)n1
InChIInChI=1S/C18H16N2.C10H20.C3H6/c19-18(15-10-5-2-6-11-15)17-13-7-12-16(20-17)14-8-3-1-4-9-14;1-8(2)6-7-10(5)9(3)4;1-3-2/h1-13,18H,19H2;7-9H,6H2,1-5H3;3H,1H2,2H3/b;10-7+;
InChIKeyLIWOYOAIECNLGO-PIHOZGLFSA-N
XLogP8.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.69
LogP ≤ 58.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl-(6-phenyl-2-pyridinyl)methanamine;prop-1-ene;(E)-2,3,6-trimethylhept-3-ene?
The IUPAC name of phenyl-(6-phenyl-2-pyridinyl)methanamine;prop-1-ene;(E)-2,3,6-trimethylhept-3-ene (CID 142237417) is phenyl-(6-phenyl-2-pyridinyl)methanamine;prop-1-ene;(E)-2,3,6-trimethylhept-3-ene.
What is the SMILES notation for phenyl-(6-phenyl-2-pyridinyl)methanamine;prop-1-ene;(E)-2,3,6-trimethylhept-3-ene?
The canonical SMILES for phenyl-(6-phenyl-2-pyridinyl)methanamine;prop-1-ene;(E)-2,3,6-trimethylhept-3-ene is C/C(=C\CC(C)C)C(C)C.C=CC.NC(c1ccccc1)c1cccc(-c2ccccc2)n1.
What is the InChIKey of phenyl-(6-phenyl-2-pyridinyl)methanamine;prop-1-ene;(E)-2,3,6-trimethylhept-3-ene?
The InChIKey is LIWOYOAIECNLGO-PIHOZGLFSA-N. The full InChI is InChI=1S/C18H16N2.C10H20.C3H6/c19-18(15-10-5-2-6-11-15)17-13-7-12-16(20-17)14-8-3-1-4-9-14;1-8(2)6-7-10(5)9(3)4;1-3-2/h1-13,18H,19H2;7-9H,6H2,1-5H3;3H,1H2,2H3/b;10-7+;.
What are the key properties of phenyl-(6-phenyl-2-pyridinyl)methanamine;prop-1-ene;(E)-2,3,6-trimethylhept-3-ene?
phenyl-(6-phenyl-2-pyridinyl)methanamine;prop-1-ene;(E)-2,3,6-trimethylhept-3-ene has a molecular weight of 442.69 g/mol, XLogP of 8.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(6-phenyl-2-pyridinyl)methanamine;prop-1-ene;(E)-2,3,6-trimethylhept-3-ene is sourced from PubChem (CID 142237417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).