(2Z,4S,5Z)-4-methyl-N-prop-2-enylhepta-2,5-dien-1-imine

C11H17N — CID 139406469

IUPAC(2Z,4S,5Z)-4-methyl-N-prop-2-enylhepta-2,5-dien-1-imine
SMILESC=CC/N=C/C=C\[C@@H](C)/C=C\C
InChIInChI=1S/C11H17N/c1-4-7-11(3)8-6-10-12-9-5-2/h4-8,10-11H,2,9H2,1,3H3/b7-4-,8-6-,12-10+/t11-/m0/s1
InChIKeyRFZLWIFKDWKSSW-ZWDDSPMGSA-N
MW163.26 g/mol
LogP3.01
Rot. Bonds5

About (2Z,4S,5Z)-4-methyl-N-prop-2-enylhepta-2,5-dien-1-imine

(2Z,4S,5Z)-4-methyl-N-prop-2-enylhepta-2,5-dien-1-imine (PubChem CID 139406469) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (2Z,4S,5Z)-4-methyl-N-prop-2-enylhepta-2,5-dien-1-imine.

Molecular Properties

Compound Name(2Z,4S,5Z)-4-methyl-N-prop-2-enylhepta-2,5-dien-1-imine
PubChem CID139406469
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(2Z,4S,5Z)-4-methyl-N-prop-2-enylhepta-2,5-dien-1-imine
SMILESC=CC/N=C/C=C\[C@@H](C)/C=C\C
InChIInChI=1S/C11H17N/c1-4-7-11(3)8-6-10-12-9-5-2/h4-8,10-11H,2,9H2,1,3H3/b7-4-,8-6-,12-10+/t11-/m0/s1
InChIKeyRFZLWIFKDWKSSW-ZWDDSPMGSA-N
XLogP3.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4S,5Z)-4-methyl-N-prop-2-enylhepta-2,5-dien-1-imine?
The IUPAC name of (2Z,4S,5Z)-4-methyl-N-prop-2-enylhepta-2,5-dien-1-imine (CID 139406469) is (2Z,4S,5Z)-4-methyl-N-prop-2-enylhepta-2,5-dien-1-imine.
What is the SMILES notation for (2Z,4S,5Z)-4-methyl-N-prop-2-enylhepta-2,5-dien-1-imine?
The canonical SMILES for (2Z,4S,5Z)-4-methyl-N-prop-2-enylhepta-2,5-dien-1-imine is C=CC/N=C/C=C\[C@@H](C)/C=C\C.
What is the InChIKey of (2Z,4S,5Z)-4-methyl-N-prop-2-enylhepta-2,5-dien-1-imine?
The InChIKey is RFZLWIFKDWKSSW-ZWDDSPMGSA-N. The full InChI is InChI=1S/C11H17N/c1-4-7-11(3)8-6-10-12-9-5-2/h4-8,10-11H,2,9H2,1,3H3/b7-4-,8-6-,12-10+/t11-/m0/s1.
What are the key properties of (2Z,4S,5Z)-4-methyl-N-prop-2-enylhepta-2,5-dien-1-imine?
(2Z,4S,5Z)-4-methyl-N-prop-2-enylhepta-2,5-dien-1-imine has a molecular weight of 163.26 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4S,5Z)-4-methyl-N-prop-2-enylhepta-2,5-dien-1-imine is sourced from PubChem (CID 139406469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).