4,6-dimethyl-3-methylideneoct-1-en-2-amine

C11H21N — CID 143352290

IUPAC4,6-dimethyl-3-methylideneoct-1-en-2-amine
SMILESC=C(N)C(=C)C(C)CC(C)CC
InChIInChI=1S/C11H21N/c1-6-8(2)7-9(3)10(4)11(5)12/h8-9H,4-7,12H2,1-3H3
InChIKeyJHWQSFZDQMGNPE-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.09
Rot. Bonds5

About 4,6-dimethyl-3-methylideneoct-1-en-2-amine

4,6-dimethyl-3-methylideneoct-1-en-2-amine (PubChem CID 143352290) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 4,6-dimethyl-3-methylideneoct-1-en-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-3-methylideneoct-1-en-2-amine
PubChem CID143352290
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name4,6-dimethyl-3-methylideneoct-1-en-2-amine
SMILESC=C(N)C(=C)C(C)CC(C)CC
InChIInChI=1S/C11H21N/c1-6-8(2)7-9(3)10(4)11(5)12/h8-9H,4-7,12H2,1-3H3
InChIKeyJHWQSFZDQMGNPE-UHFFFAOYSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,6-dimethyl-3-methylideneoct-1-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

2,5-dimethylhept-1-en-3-ylhydrazine
CID 105320121
ethyl (2R,4R)-2,4-dimethylhexanoate
CID 143853541
(5S)-3-ethyl-5-methylheptane
CID 59094044
(3S)-1-amino-3-methylpentan-1-ol
CID 89066496
3,5-dimethylheptane;ethane
CID 172617343
3,5-dimethylheptane;ethane;methanol;propane
CID 176685880
4-methylhexane-2-thiol
CID 118408807
(3R)-3-methylpent-1-en-2-ol
CID 89203555
(2S)-4-methylhexan-2-amine
CID 141201507
(2R,4S,6S,8S)-2,4,6,8-tetramethyldecanoic acid
CID 163059027
2,4,6,8-tetramethyldecanoic acid
CID 5312348
butane-1,2,3,4-tetracarboxylic acid;tetrakis(2,4-dimethylhexanamide)
CID 173380507

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-methylideneoct-1-en-2-amine?
The IUPAC name of 4,6-dimethyl-3-methylideneoct-1-en-2-amine (CID 143352290) is 4,6-dimethyl-3-methylideneoct-1-en-2-amine.
What is the SMILES notation for 4,6-dimethyl-3-methylideneoct-1-en-2-amine?
The canonical SMILES for 4,6-dimethyl-3-methylideneoct-1-en-2-amine is C=C(N)C(=C)C(C)CC(C)CC.
What is the InChIKey of 4,6-dimethyl-3-methylideneoct-1-en-2-amine?
The InChIKey is JHWQSFZDQMGNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-6-8(2)7-9(3)10(4)11(5)12/h8-9H,4-7,12H2,1-3H3.
What are the key properties of 4,6-dimethyl-3-methylideneoct-1-en-2-amine?
4,6-dimethyl-3-methylideneoct-1-en-2-amine has a molecular weight of 167.30 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-methylideneoct-1-en-2-amine is sourced from PubChem (CID 143352290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).