N-[(E)-3-(2,2-dimethylpropyl)-2-methylhept-1-enyl]methanimine

C14H27N — CID 139319938

IUPACN-[(E)-3-(2,2-dimethylpropyl)-2-methylhept-1-enyl]methanimine
SMILESC=N/C=C(\C)C(CCCC)CC(C)(C)C
InChIInChI=1S/C14H27N/c1-7-8-9-13(10-14(3,4)5)12(2)11-15-6/h11,13H,6-10H2,1-5H3/b12-11+
InChIKeyMDTHOKOWGNNKBW-VAWYXSNFSA-N
MW209.38 g/mol
LogP4.83
Rot. Bonds6

About N-[(E)-3-(2,2-dimethylpropyl)-2-methylhept-1-enyl]methanimine

N-[(E)-3-(2,2-dimethylpropyl)-2-methylhept-1-enyl]methanimine (PubChem CID 139319938) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-[(E)-3-(2,2-dimethylpropyl)-2-methylhept-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(E)-3-(2,2-dimethylpropyl)-2-methylhept-1-enyl]methanimine
PubChem CID139319938
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-[(E)-3-(2,2-dimethylpropyl)-2-methylhept-1-enyl]methanimine
SMILESC=N/C=C(\C)C(CCCC)CC(C)(C)C
InChIInChI=1S/C14H27N/c1-7-8-9-13(10-14(3,4)5)12(2)11-15-6/h11,13H,6-10H2,1-5H3/b12-11+
InChIKeyMDTHOKOWGNNKBW-VAWYXSNFSA-N
XLogP4.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(E)-3-(2,2-dimethylpropyl)-2-methylhept-1-enyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(2,2-dimethylpropyl)-2-methylhept-1-enyl]methanimine?
The IUPAC name of N-[(E)-3-(2,2-dimethylpropyl)-2-methylhept-1-enyl]methanimine (CID 139319938) is N-[(E)-3-(2,2-dimethylpropyl)-2-methylhept-1-enyl]methanimine.
What is the SMILES notation for N-[(E)-3-(2,2-dimethylpropyl)-2-methylhept-1-enyl]methanimine?
The canonical SMILES for N-[(E)-3-(2,2-dimethylpropyl)-2-methylhept-1-enyl]methanimine is C=N/C=C(\C)C(CCCC)CC(C)(C)C.
What is the InChIKey of N-[(E)-3-(2,2-dimethylpropyl)-2-methylhept-1-enyl]methanimine?
The InChIKey is MDTHOKOWGNNKBW-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H27N/c1-7-8-9-13(10-14(3,4)5)12(2)11-15-6/h11,13H,6-10H2,1-5H3/b12-11+.
What are the key properties of N-[(E)-3-(2,2-dimethylpropyl)-2-methylhept-1-enyl]methanimine?
N-[(E)-3-(2,2-dimethylpropyl)-2-methylhept-1-enyl]methanimine has a molecular weight of 209.38 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(2,2-dimethylpropyl)-2-methylhept-1-enyl]methanimine is sourced from PubChem (CID 139319938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).