(2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine

C19H26N2 — CID 145358443

IUPAC(2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine
SMILESC=C(C)C1=CC=C(/C(C)=C/C=C\C=N\C)N(CC2CC2)C1
InChIInChI=1S/C19H26N2/c1-15(2)18-10-11-19(16(3)7-5-6-12-20-4)21(14-18)13-17-8-9-17/h5-7,10-12,17H,1,8-9,13-14H2,2-4H3/b6-5-,16-7+,20-12+
InChIKeyUQDJZZZKZQVNQZ-XQDNEIFTSA-N
MW282.43 g/mol
LogP4.30
Rot. Bonds6

About (2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine

(2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine (PubChem CID 145358443) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine
PubChem CID145358443
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name(2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine
SMILESC=C(C)C1=CC=C(/C(C)=C/C=C\C=N\C)N(CC2CC2)C1
InChIInChI=1S/C19H26N2/c1-15(2)18-10-11-19(16(3)7-5-6-12-20-4)21(14-18)13-17-8-9-17/h5-7,10-12,17H,1,8-9,13-14H2,2-4H3/b6-5-,16-7+,20-12+
InChIKeyUQDJZZZKZQVNQZ-XQDNEIFTSA-N
XLogP4.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine (CID 145358443) is (2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine is C=C(C)C1=CC=C(/C(C)=C/C=C\C=N\C)N(CC2CC2)C1.
What is the InChIKey of (2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine?
The InChIKey is UQDJZZZKZQVNQZ-XQDNEIFTSA-N. The full InChI is InChI=1S/C19H26N2/c1-15(2)18-10-11-19(16(3)7-5-6-12-20-4)21(14-18)13-17-8-9-17/h5-7,10-12,17H,1,8-9,13-14H2,2-4H3/b6-5-,16-7+,20-12+.
What are the key properties of (2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine?
(2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine has a molecular weight of 282.43 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine is sourced from PubChem (CID 145358443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).