N-[(2Z)-3,4,4-trimethylocta-2,5-dien-2-yl]methanimine

C12H21N — CID 155135173

IUPACN-[(2Z)-3,4,4-trimethylocta-2,5-dien-2-yl]methanimine
SMILESC=N/C(C)=C(/C)C(C)(C)C=CCC
InChIInChI=1S/C12H21N/c1-7-8-9-12(4,5)10(2)11(3)13-6/h8-9H,6-7H2,1-5H3/b9-8?,11-10-
InChIKeyGWVLOBXDXYUSMY-HWDIUJSMSA-N
MW179.31 g/mol
LogP3.97
Rot. Bonds4

About N-[(2Z)-3,4,4-trimethylocta-2,5-dien-2-yl]methanimine

N-[(2Z)-3,4,4-trimethylocta-2,5-dien-2-yl]methanimine (PubChem CID 155135173) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-[(2Z)-3,4,4-trimethylocta-2,5-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z)-3,4,4-trimethylocta-2,5-dien-2-yl]methanimine
PubChem CID155135173
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-[(2Z)-3,4,4-trimethylocta-2,5-dien-2-yl]methanimine
SMILESC=N/C(C)=C(/C)C(C)(C)C=CCC
InChIInChI=1S/C12H21N/c1-7-8-9-12(4,5)10(2)11(3)13-6/h8-9H,6-7H2,1-5H3/b9-8?,11-10-
InChIKeyGWVLOBXDXYUSMY-HWDIUJSMSA-N
XLogP3.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.97
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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Related Compounds

N-(2-tert-butyl-6-methylidenecyclohexa-1,3-dien-1-yl)methanimine
CID 56638694
[(Z)-5-(methanidylideneamino)-2,2-dimethylhex-4-en-3-ylidene]tungsten
CID 59439322
N-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]methanimine
CID 88536085
N-(5,5-dimethyl-4-methylidenehex-2-en-2-yl)methanimine
CID 91121593
N-(2,2-dimethylhept-3-en-3-yl)methanimine
CID 91459972
N-(3-propylhexa-2,4-dien-2-yl)methanimine
CID 123226576
2-tert-butyl-N,4,6-trimethylocta-1,3,5,7-tetraen-1-imine
CID 123261550
N-(5,6-dimethylhepta-2,5-dien-2-yl)methanimine
CID 123327570
N-(2,2-dimethyl-5,6-dimethylidenedeca-3,7,9-trien-3-yl)methanimine
CID 123567082
N-[(3E,5Z)-4-tert-butylhepta-1,3,5-trien-3-yl]methanimine
CID 129257202
N-[(E)-3,4,4-trimethylpent-2-en-2-yl]prop-2-en-1-imine
CID 130245455
N-[(2Z)-5-methyl-3-[(Z)-prop-1-enyl]hexa-2,4-dien-2-yl]methanimine
CID 130348653

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-3,4,4-trimethylocta-2,5-dien-2-yl]methanimine?
The IUPAC name of N-[(2Z)-3,4,4-trimethylocta-2,5-dien-2-yl]methanimine (CID 155135173) is N-[(2Z)-3,4,4-trimethylocta-2,5-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2Z)-3,4,4-trimethylocta-2,5-dien-2-yl]methanimine?
The canonical SMILES for N-[(2Z)-3,4,4-trimethylocta-2,5-dien-2-yl]methanimine is C=N/C(C)=C(/C)C(C)(C)C=CCC.
What is the InChIKey of N-[(2Z)-3,4,4-trimethylocta-2,5-dien-2-yl]methanimine?
The InChIKey is GWVLOBXDXYUSMY-HWDIUJSMSA-N. The full InChI is InChI=1S/C12H21N/c1-7-8-9-12(4,5)10(2)11(3)13-6/h8-9H,6-7H2,1-5H3/b9-8?,11-10-.
What are the key properties of N-[(2Z)-3,4,4-trimethylocta-2,5-dien-2-yl]methanimine?
N-[(2Z)-3,4,4-trimethylocta-2,5-dien-2-yl]methanimine has a molecular weight of 179.31 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-3,4,4-trimethylocta-2,5-dien-2-yl]methanimine is sourced from PubChem (CID 155135173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).