(Z)-N-[(Z)-but-2-en-2-yl]-7-methyl-3-methylidenenon-5-en-4-imine

C15H25N — CID 155402604

IUPAC(Z)-N-[(Z)-but-2-en-2-yl]-7-methyl-3-methylidenenon-5-en-4-imine
SMILESC=C(CC)C(/C=C\C(C)CC)=N\C(C)=C/C
InChIInChI=1S/C15H25N/c1-7-12(4)10-11-15(13(5)8-2)16-14(6)9-3/h9-12H,5,7-8H2,1-4,6H3/b11-10-,14-9-,16-15-
InChIKeyPELOMHRTSKYVQC-UPDIORAESA-N
MW219.37 g/mol
LogP4.92
Rot. Bonds6

About (Z)-N-[(Z)-but-2-en-2-yl]-7-methyl-3-methylidenenon-5-en-4-imine

(Z)-N-[(Z)-but-2-en-2-yl]-7-methyl-3-methylidenenon-5-en-4-imine (PubChem CID 155402604) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is (Z)-N-[(Z)-but-2-en-2-yl]-7-methyl-3-methylidenenon-5-en-4-imine.

Molecular Properties

Compound Name(Z)-N-[(Z)-but-2-en-2-yl]-7-methyl-3-methylidenenon-5-en-4-imine
PubChem CID155402604
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name(Z)-N-[(Z)-but-2-en-2-yl]-7-methyl-3-methylidenenon-5-en-4-imine
SMILESC=C(CC)C(/C=C\C(C)CC)=N\C(C)=C/C
InChIInChI=1S/C15H25N/c1-7-12(4)10-11-15(13(5)8-2)16-14(6)9-3/h9-12H,5,7-8H2,1-4,6H3/b11-10-,14-9-,16-15-
InChIKeyPELOMHRTSKYVQC-UPDIORAESA-N
XLogP4.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-but-2-en-2-yl]-7-methyl-3-methylidenenon-5-en-4-imine?
The IUPAC name of (Z)-N-[(Z)-but-2-en-2-yl]-7-methyl-3-methylidenenon-5-en-4-imine (CID 155402604) is (Z)-N-[(Z)-but-2-en-2-yl]-7-methyl-3-methylidenenon-5-en-4-imine.
What is the SMILES notation for (Z)-N-[(Z)-but-2-en-2-yl]-7-methyl-3-methylidenenon-5-en-4-imine?
The canonical SMILES for (Z)-N-[(Z)-but-2-en-2-yl]-7-methyl-3-methylidenenon-5-en-4-imine is C=C(CC)C(/C=C\C(C)CC)=N\C(C)=C/C.
What is the InChIKey of (Z)-N-[(Z)-but-2-en-2-yl]-7-methyl-3-methylidenenon-5-en-4-imine?
The InChIKey is PELOMHRTSKYVQC-UPDIORAESA-N. The full InChI is InChI=1S/C15H25N/c1-7-12(4)10-11-15(13(5)8-2)16-14(6)9-3/h9-12H,5,7-8H2,1-4,6H3/b11-10-,14-9-,16-15-.
What are the key properties of (Z)-N-[(Z)-but-2-en-2-yl]-7-methyl-3-methylidenenon-5-en-4-imine?
(Z)-N-[(Z)-but-2-en-2-yl]-7-methyl-3-methylidenenon-5-en-4-imine has a molecular weight of 219.37 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-but-2-en-2-yl]-7-methyl-3-methylidenenon-5-en-4-imine is sourced from PubChem (CID 155402604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).