2-[6-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-propan-2-yl-2-pyridinyl]-N-methylprop-2-en-1-amine

C18H26N2 — CID 174369556

IUPAC2-[6-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-propan-2-yl-2-pyridinyl]-N-methylprop-2-en-1-amine
SMILESC=C(CNC)c1cc(C(C)C)cc(/C(C)=C/C=C\C)n1
InChIInChI=1S/C18H26N2/c1-7-8-9-14(4)17-10-16(13(2)3)11-18(20-17)15(5)12-19-6/h7-11,13,19H,5,12H2,1-4,6H3/b8-7-,14-9+
InChIKeyXUYNGWDSRFXUIB-JEHBAHQJSA-N
MW270.42 g/mol
LogP4.42
Rot. Bonds6

About 2-[6-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-propan-2-yl-2-pyridinyl]-N-methylprop-2-en-1-amine

2-[6-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-propan-2-yl-2-pyridinyl]-N-methylprop-2-en-1-amine (PubChem CID 174369556) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[6-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-propan-2-yl-2-pyridinyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[6-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-propan-2-yl-2-pyridinyl]-N-methylprop-2-en-1-amine
PubChem CID174369556
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name2-[6-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-propan-2-yl-2-pyridinyl]-N-methylprop-2-en-1-amine
SMILESC=C(CNC)c1cc(C(C)C)cc(/C(C)=C/C=C\C)n1
InChIInChI=1S/C18H26N2/c1-7-8-9-14(4)17-10-16(13(2)3)11-18(20-17)15(5)12-19-6/h7-11,13,19H,5,12H2,1-4,6H3/b8-7-,14-9+
InChIKeyXUYNGWDSRFXUIB-JEHBAHQJSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-N-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
CID 142839677
1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[(4Z,6E)-6-methyl-4-(2-methylprop-1-enyl)octa-1,4,6-trien-2-yl]benzene
CID 143032355
ethane;(1Z)-N-methyl-3-methylidene-5-[3-methyl-4-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]phenyl]hexa-1,5-dien-1-amine
CID 143032251
(8Z,10Z)-3,8-dimethyl-1-(methylamino)-7-methylidenedodeca-8,10-dien-6-one
CID 138480380
2-(4-buta-1,3-dien-2-ylphenyl)-4-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]phenyl]-6-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]-1,3,5-triazine
CID 139475333
1-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-5-yl]-3-propan-2-ylbenzene
CID 168937681
1-[1-[3,5-di(propan-2-yl)phenyl]ethenyl]-3,5-di(propan-2-yl)benzene
CID 173174943
(2Z,4E)-2-ethyl-N-methylhexa-2,4-dien-1-amine
CID 55298161
2-(2,6-dimethylphenyl)-N-methylprop-2-en-1-amine
CID 164584980
N-[(1Z,3Z)-1-[3-[2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-4-pyridinyl]-5-(5-phenyl-2-pyridinyl)phenyl]penta-1,3-dienyl]methanimine
CID 166780398
(2E,4Z)-2-methyl-N-[phenyl(phosphanyl)methyl]hexa-2,4-dien-1-amine;2-methylpropane
CID 176995490
3-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-5-propan-2-ylphenol
CID 117351342

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-propan-2-yl-2-pyridinyl]-N-methylprop-2-en-1-amine?
The IUPAC name of 2-[6-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-propan-2-yl-2-pyridinyl]-N-methylprop-2-en-1-amine (CID 174369556) is 2-[6-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-propan-2-yl-2-pyridinyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-[6-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-propan-2-yl-2-pyridinyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-[6-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-propan-2-yl-2-pyridinyl]-N-methylprop-2-en-1-amine is C=C(CNC)c1cc(C(C)C)cc(/C(C)=C/C=C\C)n1.
What is the InChIKey of 2-[6-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-propan-2-yl-2-pyridinyl]-N-methylprop-2-en-1-amine?
The InChIKey is XUYNGWDSRFXUIB-JEHBAHQJSA-N. The full InChI is InChI=1S/C18H26N2/c1-7-8-9-14(4)17-10-16(13(2)3)11-18(20-17)15(5)12-19-6/h7-11,13,19H,5,12H2,1-4,6H3/b8-7-,14-9+.
What are the key properties of 2-[6-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-propan-2-yl-2-pyridinyl]-N-methylprop-2-en-1-amine?
2-[6-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-propan-2-yl-2-pyridinyl]-N-methylprop-2-en-1-amine has a molecular weight of 270.42 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-propan-2-yl-2-pyridinyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 174369556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).