(3Z,5Z)-N-[(Z,3R)-3-methylpent-1-enyl]-5-propan-2-ylhepta-3,5-dien-2-imine;(3Z,5Z)-3-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine

C29H48N2 — CID 164902481

IUPAC(3Z,5Z)-N-[(Z,3R)-3-methylpent-1-enyl]-5-propan-2-ylhepta-3,5-dien-2-imine;(3Z,5Z)-3-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine
SMILESC/C=C(\C=C/C(C)=N/C=C\[C@H](C)CC)C(C)C.C/C=C\C=C(C(/C)=N/C=C\C)\C(C)C
InChIInChI=1S/C16H27N.C13H21N/c1-7-14(5)11-12-17-15(6)9-10-16(8-2)13(3)4;1-6-8-9-13(11(3)4)12(5)14-10-7-2/h8-14H,7H2,1-6H3;6-11H,1-5H3/b10-9-,12-11-,16-8+,17-15+;8-6-,10-7-,13-9-,14-12+/t14-;/m1./s1
InChIKeyUJTLSJXOPIEZKJ-HHFYSHAPSA-N
MW424.72 g/mol
LogP9.31
Rot. Bonds10

About (3Z,5Z)-N-[(Z,3R)-3-methylpent-1-enyl]-5-propan-2-ylhepta-3,5-dien-2-imine;(3Z,5Z)-3-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine

(3Z,5Z)-N-[(Z,3R)-3-methylpent-1-enyl]-5-propan-2-ylhepta-3,5-dien-2-imine;(3Z,5Z)-3-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine (PubChem CID 164902481) has the molecular formula C29H48N2 and a molecular weight of 424.72 g/mol. Its IUPAC name is (3Z,5Z)-N-[(Z,3R)-3-methylpent-1-enyl]-5-propan-2-ylhepta-3,5-dien-2-imine;(3Z,5Z)-3-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z,5Z)-N-[(Z,3R)-3-methylpent-1-enyl]-5-propan-2-ylhepta-3,5-dien-2-imine;(3Z,5Z)-3-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine
PubChem CID164902481
Molecular FormulaC29H48N2
Molecular Weight424.72 g/mol
Exact Mass424.38
IUPAC Name(3Z,5Z)-N-[(Z,3R)-3-methylpent-1-enyl]-5-propan-2-ylhepta-3,5-dien-2-imine;(3Z,5Z)-3-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine
SMILESC/C=C(\C=C/C(C)=N/C=C\[C@H](C)CC)C(C)C.C/C=C\C=C(C(/C)=N/C=C\C)\C(C)C
InChIInChI=1S/C16H27N.C13H21N/c1-7-14(5)11-12-17-15(6)9-10-16(8-2)13(3)4;1-6-8-9-13(11(3)4)12(5)14-10-7-2/h8-14H,7H2,1-6H3;6-11H,1-5H3/b10-9-,12-11-,16-8+,17-15+;8-6-,10-7-,13-9-,14-12+/t14-;/m1./s1
InChIKeyUJTLSJXOPIEZKJ-HHFYSHAPSA-N
XLogP9.31
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.72
LogP ≤ 59.31
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'}

Analyze (3Z,5Z)-N-[(Z,3R)-3-methylpent-1-enyl]-5-propan-2-ylhepta-3,5-dien-2-imine;(3Z,5Z)-3-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N-[(Z,3R)-3-methylpent-1-enyl]-5-propan-2-ylhepta-3,5-dien-2-imine;(3Z,5Z)-3-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine?
The IUPAC name of (3Z,5Z)-N-[(Z,3R)-3-methylpent-1-enyl]-5-propan-2-ylhepta-3,5-dien-2-imine;(3Z,5Z)-3-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine (CID 164902481) is (3Z,5Z)-N-[(Z,3R)-3-methylpent-1-enyl]-5-propan-2-ylhepta-3,5-dien-2-imine;(3Z,5Z)-3-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine.
What is the SMILES notation for (3Z,5Z)-N-[(Z,3R)-3-methylpent-1-enyl]-5-propan-2-ylhepta-3,5-dien-2-imine;(3Z,5Z)-3-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine?
The canonical SMILES for (3Z,5Z)-N-[(Z,3R)-3-methylpent-1-enyl]-5-propan-2-ylhepta-3,5-dien-2-imine;(3Z,5Z)-3-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine is C/C=C(\C=C/C(C)=N/C=C\[C@H](C)CC)C(C)C.C/C=C\C=C(C(/C)=N/C=C\C)\C(C)C.
What is the InChIKey of (3Z,5Z)-N-[(Z,3R)-3-methylpent-1-enyl]-5-propan-2-ylhepta-3,5-dien-2-imine;(3Z,5Z)-3-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine?
The InChIKey is UJTLSJXOPIEZKJ-HHFYSHAPSA-N. The full InChI is InChI=1S/C16H27N.C13H21N/c1-7-14(5)11-12-17-15(6)9-10-16(8-2)13(3)4;1-6-8-9-13(11(3)4)12(5)14-10-7-2/h8-14H,7H2,1-6H3;6-11H,1-5H3/b10-9-,12-11-,16-8+,17-15+;8-6-,10-7-,13-9-,14-12+/t14-;/m1./s1.
What are the key properties of (3Z,5Z)-N-[(Z,3R)-3-methylpent-1-enyl]-5-propan-2-ylhepta-3,5-dien-2-imine;(3Z,5Z)-3-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine?
(3Z,5Z)-N-[(Z,3R)-3-methylpent-1-enyl]-5-propan-2-ylhepta-3,5-dien-2-imine;(3Z,5Z)-3-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine has a molecular weight of 424.72 g/mol, XLogP of 9.31, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-[(Z,3R)-3-methylpent-1-enyl]-5-propan-2-ylhepta-3,5-dien-2-imine;(3Z,5Z)-3-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine is sourced from PubChem (CID 164902481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).