(Z,2E)-N,6-dimethyl-2-propylidenehept-3-en-1-imine

C12H21N — CID 88562301

IUPAC(Z,2E)-N,6-dimethyl-2-propylidenehept-3-en-1-imine
SMILESCC/C=C(\C=C/CC(C)C)/C=N/C
InChIInChI=1S/C12H21N/c1-5-7-12(10-13-4)9-6-8-11(2)3/h6-7,9-11H,5,8H2,1-4H3/b9-6-,12-7+,13-10+
InChIKeyKZVLKKMOLNYQCE-XGHVHIKJSA-N
MW179.31 g/mol
LogP3.63
Rot. Bonds5

About (Z,2E)-N,6-dimethyl-2-propylidenehept-3-en-1-imine

(Z,2E)-N,6-dimethyl-2-propylidenehept-3-en-1-imine (PubChem CID 88562301) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (Z,2E)-N,6-dimethyl-2-propylidenehept-3-en-1-imine.

Molecular Properties

Compound Name(Z,2E)-N,6-dimethyl-2-propylidenehept-3-en-1-imine
PubChem CID88562301
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(Z,2E)-N,6-dimethyl-2-propylidenehept-3-en-1-imine
SMILESCC/C=C(\C=C/CC(C)C)/C=N/C
InChIInChI=1S/C12H21N/c1-5-7-12(10-13-4)9-6-8-11(2)3/h6-7,9-11H,5,8H2,1-4H3/b9-6-,12-7+,13-10+
InChIKeyKZVLKKMOLNYQCE-XGHVHIKJSA-N
XLogP3.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.63
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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Related Compounds

(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
(2E)-3-ethenyl-2-ethylidene-3-fluoro-N-methylpent-4-en-1-imine
CID 129196407
(2Z)-4-methyl-2-propan-2-yl-N-(3,4,4-trifluoro-3-methylbutyl)penta-2,4-dien-1-imine
CID 130390089
(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhexa-2,4-dien-1-imine
CID 139444855
4-butan-2-yl-3-[(Z)-3-fluoro-2-methylbut-1-enyl]-2H-pyrrole
CID 146499188
(2Z)-4-fluoro-N-methyl-3-propan-2-ylpenta-2,4-dien-1-imine
CID 166786093
(3E,5Z)-3-ethenyl-N-[(Z)-1-fluoro-5-methylhept-3-en-3-yl]-6-methyl-2-methylideneocta-3,5-dien-1-imine
CID 169645766
(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine
CID 170194966
(E,2Z)-2-ethylidene-N-[(Z)-1-fluoro-2-methylbut-1-enyl]-3-methylhept-3-en-1-imine
CID 173807900
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
(2Z,4E,6E,8E)-10-ethyl-2-fluoro-N,3,7-trimethyldodeca-2,4,6,8-tetraen-1-imine
CID 101404446
(2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine
CID 143621189

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-N,6-dimethyl-2-propylidenehept-3-en-1-imine?
The IUPAC name of (Z,2E)-N,6-dimethyl-2-propylidenehept-3-en-1-imine (CID 88562301) is (Z,2E)-N,6-dimethyl-2-propylidenehept-3-en-1-imine.
What is the SMILES notation for (Z,2E)-N,6-dimethyl-2-propylidenehept-3-en-1-imine?
The canonical SMILES for (Z,2E)-N,6-dimethyl-2-propylidenehept-3-en-1-imine is CC/C=C(\C=C/CC(C)C)/C=N/C.
What is the InChIKey of (Z,2E)-N,6-dimethyl-2-propylidenehept-3-en-1-imine?
The InChIKey is KZVLKKMOLNYQCE-XGHVHIKJSA-N. The full InChI is InChI=1S/C12H21N/c1-5-7-12(10-13-4)9-6-8-11(2)3/h6-7,9-11H,5,8H2,1-4H3/b9-6-,12-7+,13-10+.
What are the key properties of (Z,2E)-N,6-dimethyl-2-propylidenehept-3-en-1-imine?
(Z,2E)-N,6-dimethyl-2-propylidenehept-3-en-1-imine has a molecular weight of 179.31 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-N,6-dimethyl-2-propylidenehept-3-en-1-imine is sourced from PubChem (CID 88562301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).