(3E,5Z)-3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hepta-3,5-dien-2-imine

C14H21N — CID 126661351

IUPAC(3E,5Z)-3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hepta-3,5-dien-2-imine
SMILESC=C(C)C(=C/C)/N=C(C)/C(C)=C/C=C\C
InChIInChI=1S/C14H21N/c1-7-9-10-12(5)13(6)15-14(8-2)11(3)4/h7-10H,3H2,1-2,4-6H3/b9-7-,12-10+,14-8-,15-13+
InChIKeyHOSVXVMZKSNMCF-ARHRVUBFSA-N
MW203.33 g/mol
LogP4.45
Rot. Bonds4

About (3E,5Z)-3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hepta-3,5-dien-2-imine

(3E,5Z)-3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hepta-3,5-dien-2-imine (PubChem CID 126661351) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (3E,5Z)-3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3E,5Z)-3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hepta-3,5-dien-2-imine
PubChem CID126661351
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(3E,5Z)-3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hepta-3,5-dien-2-imine
SMILESC=C(C)C(=C/C)/N=C(C)/C(C)=C/C=C\C
InChIInChI=1S/C14H21N/c1-7-9-10-12(5)13(6)15-14(8-2)11(3)4/h7-10H,3H2,1-2,4-6H3/b9-7-,12-10+,14-8-,15-13+
InChIKeyHOSVXVMZKSNMCF-ARHRVUBFSA-N
XLogP4.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3E,5Z)-3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hepta-3,5-dien-2-imine?
The IUPAC name of (3E,5Z)-3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hepta-3,5-dien-2-imine (CID 126661351) is (3E,5Z)-3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hepta-3,5-dien-2-imine.
What is the SMILES notation for (3E,5Z)-3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hepta-3,5-dien-2-imine?
The canonical SMILES for (3E,5Z)-3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hepta-3,5-dien-2-imine is C=C(C)C(=C/C)/N=C(C)/C(C)=C/C=C\C.
What is the InChIKey of (3E,5Z)-3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hepta-3,5-dien-2-imine?
The InChIKey is HOSVXVMZKSNMCF-ARHRVUBFSA-N. The full InChI is InChI=1S/C14H21N/c1-7-9-10-12(5)13(6)15-14(8-2)11(3)4/h7-10H,3H2,1-2,4-6H3/b9-7-,12-10+,14-8-,15-13+.
What are the key properties of (3E,5Z)-3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hepta-3,5-dien-2-imine?
(3E,5Z)-3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hepta-3,5-dien-2-imine has a molecular weight of 203.33 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hepta-3,5-dien-2-imine is sourced from PubChem (CID 126661351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).