(Z)-4-methyl-3-(2-methylidene-4-propan-2-yl-1-pyridinyl)-N-[(Z)-prop-1-enyl]hex-3-en-2-imine

C19H28N2 — CID 166146624

IUPAC(Z)-4-methyl-3-(2-methylidene-4-propan-2-yl-1-pyridinyl)-N-[(Z)-prop-1-enyl]hex-3-en-2-imine
SMILESC=C1C=C(C(C)C)C=CN1C(=C(/C)CC)/C(C)=N/C=C\C
InChIInChI=1S/C19H28N2/c1-8-11-20-17(7)19(15(5)9-2)21-12-10-18(14(3)4)13-16(21)6/h8,10-14H,6,9H2,1-5,7H3/b11-8-,19-15-,20-17+
InChIKeyVADOBOFETFXAFU-PDKXHZCMSA-N
MW284.45 g/mol
LogP5.59
Rot. Bonds5

About (Z)-4-methyl-3-(2-methylidene-4-propan-2-yl-1-pyridinyl)-N-[(Z)-prop-1-enyl]hex-3-en-2-imine

(Z)-4-methyl-3-(2-methylidene-4-propan-2-yl-1-pyridinyl)-N-[(Z)-prop-1-enyl]hex-3-en-2-imine (PubChem CID 166146624) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is (Z)-4-methyl-3-(2-methylidene-4-propan-2-yl-1-pyridinyl)-N-[(Z)-prop-1-enyl]hex-3-en-2-imine.

Molecular Properties

Compound Name(Z)-4-methyl-3-(2-methylidene-4-propan-2-yl-1-pyridinyl)-N-[(Z)-prop-1-enyl]hex-3-en-2-imine
PubChem CID166146624
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name(Z)-4-methyl-3-(2-methylidene-4-propan-2-yl-1-pyridinyl)-N-[(Z)-prop-1-enyl]hex-3-en-2-imine
SMILESC=C1C=C(C(C)C)C=CN1C(=C(/C)CC)/C(C)=N/C=C\C
InChIInChI=1S/C19H28N2/c1-8-11-20-17(7)19(15(5)9-2)21-12-10-18(14(3)4)13-16(21)6/h8,10-14H,6,9H2,1-5,7H3/b11-8-,19-15-,20-17+
InChIKeyVADOBOFETFXAFU-PDKXHZCMSA-N
XLogP5.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.45
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2Z)-4-chloro-3-fluoro-2-(2-methylbutylidene)-1-pyridinyl]-N-[(Z)-prop-1-enyl]pent-1-en-3-imine
CID 164593902
1-[(Z)-1-(4-but-3-enyl-2,3-difluorocyclohexa-2,4-dien-1-yl)prop-1-enyl]-3-methyl-2-methylidenepyrazine
CID 169623338
N-ethylpyrroloindole
CID 129873132
N,N-diethyl-3-methyl-2-propan-2-ylidene-4aH-quinolin-4-amine
CID 134873276
2-Diethylamino-3h-acridine
CID 137346134
Azocino[1,2-a]benzo[c][1,5]diazocine
CID 164576957
1-[5-fluoro-6-methylidene-1-(2-methylprop-1-enyl)-3-pyridinyl]-N-[(2Z)-3-methylpenta-2,4-dien-2-yl]ethanimine
CID 153383099
2-methyl-5-[(2-methylidene-3H-pyrrol-1-yl)methyl]-3H-pyridin-3-ide;yttrium
CID 60014965
4-diazo-N,N-diethyl-3-methylcyclohexa-1,5-dien-1-amine
CID 88431347
(2Z,4E)-5-(1,2-dimethyl-2-pyridinyl)-N-methylhexa-2,4-dien-1-imine
CID 90152403
2-(2,3-dimethyl-6H-indol-6-yl)ethyl-trimethylazanium
CID 90422117
7,8-Dimethyl-6-(2-methylidenepyrimidin-1-id-4-yl)-8,9-dihydropyrido[1,2-a]azepine
CID 91240617

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-3-(2-methylidene-4-propan-2-yl-1-pyridinyl)-N-[(Z)-prop-1-enyl]hex-3-en-2-imine?
The IUPAC name of (Z)-4-methyl-3-(2-methylidene-4-propan-2-yl-1-pyridinyl)-N-[(Z)-prop-1-enyl]hex-3-en-2-imine (CID 166146624) is (Z)-4-methyl-3-(2-methylidene-4-propan-2-yl-1-pyridinyl)-N-[(Z)-prop-1-enyl]hex-3-en-2-imine.
What is the SMILES notation for (Z)-4-methyl-3-(2-methylidene-4-propan-2-yl-1-pyridinyl)-N-[(Z)-prop-1-enyl]hex-3-en-2-imine?
The canonical SMILES for (Z)-4-methyl-3-(2-methylidene-4-propan-2-yl-1-pyridinyl)-N-[(Z)-prop-1-enyl]hex-3-en-2-imine is C=C1C=C(C(C)C)C=CN1C(=C(/C)CC)/C(C)=N/C=C\C.
What is the InChIKey of (Z)-4-methyl-3-(2-methylidene-4-propan-2-yl-1-pyridinyl)-N-[(Z)-prop-1-enyl]hex-3-en-2-imine?
The InChIKey is VADOBOFETFXAFU-PDKXHZCMSA-N. The full InChI is InChI=1S/C19H28N2/c1-8-11-20-17(7)19(15(5)9-2)21-12-10-18(14(3)4)13-16(21)6/h8,10-14H,6,9H2,1-5,7H3/b11-8-,19-15-,20-17+.
What are the key properties of (Z)-4-methyl-3-(2-methylidene-4-propan-2-yl-1-pyridinyl)-N-[(Z)-prop-1-enyl]hex-3-en-2-imine?
(Z)-4-methyl-3-(2-methylidene-4-propan-2-yl-1-pyridinyl)-N-[(Z)-prop-1-enyl]hex-3-en-2-imine has a molecular weight of 284.45 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-3-(2-methylidene-4-propan-2-yl-1-pyridinyl)-N-[(Z)-prop-1-enyl]hex-3-en-2-imine is sourced from PubChem (CID 166146624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).