1-(3-methylbut-1-en-2-yl)-N-[(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]pyridin-2-imine

C19H26N2 — CID 168932717

IUPAC1-(3-methylbut-1-en-2-yl)-N-[(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]pyridin-2-imine
SMILESC=C/C=C(\C=C/C)CC/N=c1\ccccn1C(=C)C(C)C
InChIInChI=1S/C19H26N2/c1-6-10-18(11-7-2)13-14-20-19-12-8-9-15-21(19)17(5)16(3)4/h6-12,15-16H,1,5,13-14H2,2-4H3/b11-7-,18-10+,20-19+
InChIKeyIGQMTLNDLONQSL-ZRHRPPCXSA-N
MW282.43 g/mol
LogP4.59
Rot. Bonds7

About 1-(3-methylbut-1-en-2-yl)-N-[(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]pyridin-2-imine

1-(3-methylbut-1-en-2-yl)-N-[(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]pyridin-2-imine (PubChem CID 168932717) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(3-methylbut-1-en-2-yl)-N-[(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]pyridin-2-imine.

Molecular Properties

Compound Name1-(3-methylbut-1-en-2-yl)-N-[(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]pyridin-2-imine
PubChem CID168932717
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name1-(3-methylbut-1-en-2-yl)-N-[(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]pyridin-2-imine
SMILESC=C/C=C(\C=C/C)CC/N=c1\ccccn1C(=C)C(C)C
InChIInChI=1S/C19H26N2/c1-6-10-18(11-7-2)13-14-20-19-12-8-9-15-21(19)17(5)16(3)4/h6-12,15-16H,1,5,13-14H2,2-4H3/b11-7-,18-10+,20-19+
InChIKeyIGQMTLNDLONQSL-ZRHRPPCXSA-N
XLogP4.59
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N'-[3-[2-fluoroethyl(hexa-3,5-dien-3-yl)amino]-2-methylbuta-1,3-dienyl]-N,N-dimethylethanimidamide
CID 123669469
(E)-5-fluoro-N',2,5-trimethyl-N-(3-methylbut-1-en-2-yl)-4-methylidene-N-propylhex-2-enimidamide
CID 130439404
(2E,4Z,6E)-N-[[3-[(1E,3E)-2-ethenyl-3-methylhexa-1,3-dienyl]-2-methyl-4H-pyrimidin-6-yl]methyl]-7-fluoro-N-methylhepta-2,4,6-trien-3-amine
CID 156544884
2,3-Dimethyl-4-methylidenepyrido[1,2-a]pyrimidine
CID 54479691
N-cyclohexa-1,3-dien-1-yl-N-methyl-3,4-dihydropyridin-2-amine
CID 57083440
1,4-dimethyl-5-methylidene-2H-pyrido[2,3-d]pyrimidin-2-ide;yttrium
CID 58666531
(5Z,7Z)-2-cyclohexa-1,3-dien-1-yl-1-methyl-4-methylidene-1,3-diazocine
CID 68215789
(7Z)-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methyl-4-methylidene-5,6-dihydro-1,3-diazocine
CID 89053548
1-N-butyl-1-(5-chloro-2-methylidene-1-pyridinyl)-2-ethylidene-3-N-methylpent-4-ene-1,3-diimine
CID 91153770
N-cyclohexyl-2-ethylidene-3-methyl-1-(2-methylidene-1-pyridinyl)pentan-1-imine
CID 91598723
1-ethyl-3,6-dimethyl-3H-pyrido[1,2-c]pyrimidine
CID 123161013
N'-(6,6-dimethylbenzo[7]annulen-4-yl)-N,N-dimethylethanimidamide
CID 123319103

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-1-en-2-yl)-N-[(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]pyridin-2-imine?
The IUPAC name of 1-(3-methylbut-1-en-2-yl)-N-[(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]pyridin-2-imine (CID 168932717) is 1-(3-methylbut-1-en-2-yl)-N-[(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]pyridin-2-imine.
What is the SMILES notation for 1-(3-methylbut-1-en-2-yl)-N-[(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]pyridin-2-imine?
The canonical SMILES for 1-(3-methylbut-1-en-2-yl)-N-[(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]pyridin-2-imine is C=C/C=C(\C=C/C)CC/N=c1\ccccn1C(=C)C(C)C.
What is the InChIKey of 1-(3-methylbut-1-en-2-yl)-N-[(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]pyridin-2-imine?
The InChIKey is IGQMTLNDLONQSL-ZRHRPPCXSA-N. The full InChI is InChI=1S/C19H26N2/c1-6-10-18(11-7-2)13-14-20-19-12-8-9-15-21(19)17(5)16(3)4/h6-12,15-16H,1,5,13-14H2,2-4H3/b11-7-,18-10+,20-19+.
What are the key properties of 1-(3-methylbut-1-en-2-yl)-N-[(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]pyridin-2-imine?
1-(3-methylbut-1-en-2-yl)-N-[(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]pyridin-2-imine has a molecular weight of 282.43 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-1-en-2-yl)-N-[(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]pyridin-2-imine is sourced from PubChem (CID 168932717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).