N-[(Z)-4-ethyl-3-methylidenehept-1-enyl]prop-2-en-1-imine

C13H21N — CID 134432230

IUPACN-[(Z)-4-ethyl-3-methylidenehept-1-enyl]prop-2-en-1-imine
SMILESC=C/C=N/C=C\C(=C)C(CC)CCC
InChIInChI=1S/C13H21N/c1-5-8-13(7-3)12(4)9-11-14-10-6-2/h6,9-11,13H,2,4-5,7-8H2,1,3H3/b11-9-,14-10+
InChIKeyCDUNJEBCGSPGMD-JIYPUEFQSA-N
MW191.32 g/mol
LogP4.14
Rot. Bonds7

About N-[(Z)-4-ethyl-3-methylidenehept-1-enyl]prop-2-en-1-imine

N-[(Z)-4-ethyl-3-methylidenehept-1-enyl]prop-2-en-1-imine (PubChem CID 134432230) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-[(Z)-4-ethyl-3-methylidenehept-1-enyl]prop-2-en-1-imine.

Molecular Properties

Compound NameN-[(Z)-4-ethyl-3-methylidenehept-1-enyl]prop-2-en-1-imine
PubChem CID134432230
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-[(Z)-4-ethyl-3-methylidenehept-1-enyl]prop-2-en-1-imine
SMILESC=C/C=N/C=C\C(=C)C(CC)CCC
InChIInChI=1S/C13H21N/c1-5-8-13(7-3)12(4)9-11-14-10-6-2/h6,9-11,13H,2,4-5,7-8H2,1,3H3/b11-9-,14-10+
InChIKeyCDUNJEBCGSPGMD-JIYPUEFQSA-N
XLogP4.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 54.14
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 N-[(Z)-4-ethyl-3-methylidenehept-1-enyl]prop-2-en-1-imine?
The IUPAC name of N-[(Z)-4-ethyl-3-methylidenehept-1-enyl]prop-2-en-1-imine (CID 134432230) is N-[(Z)-4-ethyl-3-methylidenehept-1-enyl]prop-2-en-1-imine.
What is the SMILES notation for N-[(Z)-4-ethyl-3-methylidenehept-1-enyl]prop-2-en-1-imine?
The canonical SMILES for N-[(Z)-4-ethyl-3-methylidenehept-1-enyl]prop-2-en-1-imine is C=C/C=N/C=C\C(=C)C(CC)CCC.
What is the InChIKey of N-[(Z)-4-ethyl-3-methylidenehept-1-enyl]prop-2-en-1-imine?
The InChIKey is CDUNJEBCGSPGMD-JIYPUEFQSA-N. The full InChI is InChI=1S/C13H21N/c1-5-8-13(7-3)12(4)9-11-14-10-6-2/h6,9-11,13H,2,4-5,7-8H2,1,3H3/b11-9-,14-10+.
What are the key properties of N-[(Z)-4-ethyl-3-methylidenehept-1-enyl]prop-2-en-1-imine?
N-[(Z)-4-ethyl-3-methylidenehept-1-enyl]prop-2-en-1-imine has a molecular weight of 191.32 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-ethyl-3-methylidenehept-1-enyl]prop-2-en-1-imine is sourced from PubChem (CID 134432230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).