N-[(5E)-3,4,4,5-tetramethylhepta-1,5-dien-3-yl]methanimine

C12H21N — CID 139473922

IUPACN-[(5E)-3,4,4,5-tetramethylhepta-1,5-dien-3-yl]methanimine
SMILESC=CC(C)(N=C)C(C)(C)/C(C)=C/C
InChIInChI=1S/C12H21N/c1-8-10(3)11(4,5)12(6,9-2)13-7/h8-9H,2,7H2,1,3-6H3/b10-8+
InChIKeyXUEAEQGJEFTTIM-CSKARUKUSA-N
MW179.31 g/mol
LogP3.62
Rot. Bonds4

About N-[(5E)-3,4,4,5-tetramethylhepta-1,5-dien-3-yl]methanimine

N-[(5E)-3,4,4,5-tetramethylhepta-1,5-dien-3-yl]methanimine (PubChem CID 139473922) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-[(5E)-3,4,4,5-tetramethylhepta-1,5-dien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(5E)-3,4,4,5-tetramethylhepta-1,5-dien-3-yl]methanimine
PubChem CID139473922
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-[(5E)-3,4,4,5-tetramethylhepta-1,5-dien-3-yl]methanimine
SMILESC=CC(C)(N=C)C(C)(C)/C(C)=C/C
InChIInChI=1S/C12H21N/c1-8-10(3)11(4,5)12(6,9-2)13-7/h8-9H,2,7H2,1,3-6H3/b10-8+
InChIKeyXUEAEQGJEFTTIM-CSKARUKUSA-N
XLogP3.62
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 ≤ 53.62
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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Frequently Asked Questions

What is the IUPAC name of N-[(5E)-3,4,4,5-tetramethylhepta-1,5-dien-3-yl]methanimine?
The IUPAC name of N-[(5E)-3,4,4,5-tetramethylhepta-1,5-dien-3-yl]methanimine (CID 139473922) is N-[(5E)-3,4,4,5-tetramethylhepta-1,5-dien-3-yl]methanimine.
What is the SMILES notation for N-[(5E)-3,4,4,5-tetramethylhepta-1,5-dien-3-yl]methanimine?
The canonical SMILES for N-[(5E)-3,4,4,5-tetramethylhepta-1,5-dien-3-yl]methanimine is C=CC(C)(N=C)C(C)(C)/C(C)=C/C.
What is the InChIKey of N-[(5E)-3,4,4,5-tetramethylhepta-1,5-dien-3-yl]methanimine?
The InChIKey is XUEAEQGJEFTTIM-CSKARUKUSA-N. The full InChI is InChI=1S/C12H21N/c1-8-10(3)11(4,5)12(6,9-2)13-7/h8-9H,2,7H2,1,3-6H3/b10-8+.
What are the key properties of N-[(5E)-3,4,4,5-tetramethylhepta-1,5-dien-3-yl]methanimine?
N-[(5E)-3,4,4,5-tetramethylhepta-1,5-dien-3-yl]methanimine has a molecular weight of 179.31 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5E)-3,4,4,5-tetramethylhepta-1,5-dien-3-yl]methanimine is sourced from PubChem (CID 139473922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).