(E)-N,3,5,7-tetramethyloct-4-en-2-amine

C12H25N — CID 142033968

IUPAC(E)-N,3,5,7-tetramethyloct-4-en-2-amine
SMILESCNC(C)C(C)/C=C(\C)CC(C)C
InChIInChI=1S/C12H25N/c1-9(2)7-10(3)8-11(4)12(5)13-6/h8-9,11-13H,7H2,1-6H3/b10-8+
InChIKeyAPKUEBREAPMEHQ-CSKARUKUSA-N
MW183.34 g/mol
LogP3.22
Rot. Bonds5

About (E)-N,3,5,7-tetramethyloct-4-en-2-amine

(E)-N,3,5,7-tetramethyloct-4-en-2-amine (PubChem CID 142033968) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (E)-N,3,5,7-tetramethyloct-4-en-2-amine.

Molecular Properties

Compound Name(E)-N,3,5,7-tetramethyloct-4-en-2-amine
PubChem CID142033968
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(E)-N,3,5,7-tetramethyloct-4-en-2-amine
SMILESCNC(C)C(C)/C=C(\C)CC(C)C
InChIInChI=1S/C12H25N/c1-9(2)7-10(3)8-11(4)12(5)13-6/h8-9,11-13H,7H2,1-6H3/b10-8+
InChIKeyAPKUEBREAPMEHQ-CSKARUKUSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N,3,5,7-tetramethyloct-4-en-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

Isometheptene
CID 22297
Isometheptene Hydrochloride
CID 22549
Dexisometheptene
CID 24871315
N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopropanamine
CID 141815373
Isometheptene-mucate
CID 6604597
6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850
4-Hexenylamine, N,1,2,5-tetramethyl-
CID 49627
(3,7-Dimethyloct-6-en-1-yl)(methyl)amine
CID 22251448
(2,6-Dimethylhept-5-en-1-yl)(methyl)amine
CID 146817482
6-Methyl-2-propylamino-5-heptene
CID 12541942
N,5-dimethylhex-4-en-2-amine
CID 123421000
Methyl(6-methylhept-5-en-2-yl)azanium chloride
CID 53447279

Frequently Asked Questions

What is the IUPAC name of (E)-N,3,5,7-tetramethyloct-4-en-2-amine?
The IUPAC name of (E)-N,3,5,7-tetramethyloct-4-en-2-amine (CID 142033968) is (E)-N,3,5,7-tetramethyloct-4-en-2-amine.
What is the SMILES notation for (E)-N,3,5,7-tetramethyloct-4-en-2-amine?
The canonical SMILES for (E)-N,3,5,7-tetramethyloct-4-en-2-amine is CNC(C)C(C)/C=C(\C)CC(C)C.
What is the InChIKey of (E)-N,3,5,7-tetramethyloct-4-en-2-amine?
The InChIKey is APKUEBREAPMEHQ-CSKARUKUSA-N. The full InChI is InChI=1S/C12H25N/c1-9(2)7-10(3)8-11(4)12(5)13-6/h8-9,11-13H,7H2,1-6H3/b10-8+.
What are the key properties of (E)-N,3,5,7-tetramethyloct-4-en-2-amine?
(E)-N,3,5,7-tetramethyloct-4-en-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,3,5,7-tetramethyloct-4-en-2-amine is sourced from PubChem (CID 142033968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).