(Z)-N-(3,3-dimethyl-4-methylidenehex-5-enyl)-4-methylhex-2-en-1-imine

C16H27N — CID 129311346

IUPAC(Z)-N-(3,3-dimethyl-4-methylidenehex-5-enyl)-4-methylhex-2-en-1-imine
SMILESC=CC(=C)C(C)(C)CC/N=C/C=C\C(C)CC
InChIInChI=1S/C16H27N/c1-7-14(3)10-9-12-17-13-11-16(5,6)15(4)8-2/h8-10,12,14H,2,4,7,11,13H2,1,3,5-6H3/b10-9-,17-12+
InChIKeyRZKVUFCRHUEYKO-BOCOQIOWSA-N
MW233.40 g/mol
LogP4.82
Rot. Bonds8

About (Z)-N-(3,3-dimethyl-4-methylidenehex-5-enyl)-4-methylhex-2-en-1-imine

(Z)-N-(3,3-dimethyl-4-methylidenehex-5-enyl)-4-methylhex-2-en-1-imine (PubChem CID 129311346) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is (Z)-N-(3,3-dimethyl-4-methylidenehex-5-enyl)-4-methylhex-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-(3,3-dimethyl-4-methylidenehex-5-enyl)-4-methylhex-2-en-1-imine
PubChem CID129311346
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name(Z)-N-(3,3-dimethyl-4-methylidenehex-5-enyl)-4-methylhex-2-en-1-imine
SMILESC=CC(=C)C(C)(C)CC/N=C/C=C\C(C)CC
InChIInChI=1S/C16H27N/c1-7-14(3)10-9-12-17-13-11-16(5,6)15(4)8-2/h8-10,12,14H,2,4,7,11,13H2,1,3,5-6H3/b10-9-,17-12+
InChIKeyRZKVUFCRHUEYKO-BOCOQIOWSA-N
XLogP4.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.82
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 (Z)-N-(3,3-dimethyl-4-methylidenehex-5-enyl)-4-methylhex-2-en-1-imine?
The IUPAC name of (Z)-N-(3,3-dimethyl-4-methylidenehex-5-enyl)-4-methylhex-2-en-1-imine (CID 129311346) is (Z)-N-(3,3-dimethyl-4-methylidenehex-5-enyl)-4-methylhex-2-en-1-imine.
What is the SMILES notation for (Z)-N-(3,3-dimethyl-4-methylidenehex-5-enyl)-4-methylhex-2-en-1-imine?
The canonical SMILES for (Z)-N-(3,3-dimethyl-4-methylidenehex-5-enyl)-4-methylhex-2-en-1-imine is C=CC(=C)C(C)(C)CC/N=C/C=C\C(C)CC.
What is the InChIKey of (Z)-N-(3,3-dimethyl-4-methylidenehex-5-enyl)-4-methylhex-2-en-1-imine?
The InChIKey is RZKVUFCRHUEYKO-BOCOQIOWSA-N. The full InChI is InChI=1S/C16H27N/c1-7-14(3)10-9-12-17-13-11-16(5,6)15(4)8-2/h8-10,12,14H,2,4,7,11,13H2,1,3,5-6H3/b10-9-,17-12+.
What are the key properties of (Z)-N-(3,3-dimethyl-4-methylidenehex-5-enyl)-4-methylhex-2-en-1-imine?
(Z)-N-(3,3-dimethyl-4-methylidenehex-5-enyl)-4-methylhex-2-en-1-imine has a molecular weight of 233.40 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3,3-dimethyl-4-methylidenehex-5-enyl)-4-methylhex-2-en-1-imine is sourced from PubChem (CID 129311346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).