N-[(E)-(2-ethenyl-2,5-dimethylhex-4-enylidene)amino]-N-methylmethanamine

C12H22N2 — CID 10559744

IUPACN-[(E)-(2-ethenyl-2,5-dimethylhex-4-enylidene)amino]-N-methylmethanamine
SMILESC=CC(C)(/C=N/N(C)C)CC=C(C)C
InChIInChI=1S/C12H22N2/c1-7-12(4,9-8-11(2)3)10-13-14(5)6/h7-8,10H,1,9H2,2-6H3/b13-10+
InChIKeyKOAWWJGCLKZHKP-JLHYYAGUSA-N
MW194.32 g/mol
LogP3.08
Rot. Bonds5

About N-[(E)-(2-ethenyl-2,5-dimethylhex-4-enylidene)amino]-N-methylmethanamine

N-[(E)-(2-ethenyl-2,5-dimethylhex-4-enylidene)amino]-N-methylmethanamine (PubChem CID 10559744) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[(E)-(2-ethenyl-2,5-dimethylhex-4-enylidene)amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-(2-ethenyl-2,5-dimethylhex-4-enylidene)amino]-N-methylmethanamine
PubChem CID10559744
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[(E)-(2-ethenyl-2,5-dimethylhex-4-enylidene)amino]-N-methylmethanamine
SMILESC=CC(C)(/C=N/N(C)C)CC=C(C)C
InChIInChI=1S/C12H22N2/c1-7-12(4,9-8-11(2)3)10-13-14(5)6/h7-8,10H,1,9H2,2-6H3/b13-10+
InChIKeyKOAWWJGCLKZHKP-JLHYYAGUSA-N
XLogP3.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethenyl-3,7-dimethylocta-1,6-diene
CID 13122887
3-ethyl-3,6-dimethylhepta-1,5-diene
CID 54216224
5-ethyl-2,5-dimethylhept-2-ene
CID 123530387
(3S)-4,4-difluoro-3,7-dimethylocta-1,6-dien-3-ol
CID 101113458
4,7-dimethylocta-1,6-dien-4-ol
CID 537672
2-ethyl-2,5-dimethylhex-4-en-1-amine
CID 130514715
(1E)-1-(dimethylhydrazinylidene)-4,4-dimethylpentan-3-one
CID 14786271
(2R)-2,5-dimethyl-2-prop-2-enylhex-4-enenitrile
CID 89307025
acetic acid;3-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-1,6-diene
CID 174957070
3,3-dimethylpent-4-enal;1-ethenoxy-3-methylbut-2-ene
CID 159791134
(3R)-3-ethyl-3,6-dimethylhept-5-en-2-one
CID 118389184
2-hydroxy-2,5-dimethylhex-4-enamide
CID 140574354

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-ethenyl-2,5-dimethylhex-4-enylidene)amino]-N-methylmethanamine?
The IUPAC name of N-[(E)-(2-ethenyl-2,5-dimethylhex-4-enylidene)amino]-N-methylmethanamine (CID 10559744) is N-[(E)-(2-ethenyl-2,5-dimethylhex-4-enylidene)amino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-(2-ethenyl-2,5-dimethylhex-4-enylidene)amino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-(2-ethenyl-2,5-dimethylhex-4-enylidene)amino]-N-methylmethanamine is C=CC(C)(/C=N/N(C)C)CC=C(C)C.
What is the InChIKey of N-[(E)-(2-ethenyl-2,5-dimethylhex-4-enylidene)amino]-N-methylmethanamine?
The InChIKey is KOAWWJGCLKZHKP-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H22N2/c1-7-12(4,9-8-11(2)3)10-13-14(5)6/h7-8,10H,1,9H2,2-6H3/b13-10+.
What are the key properties of N-[(E)-(2-ethenyl-2,5-dimethylhex-4-enylidene)amino]-N-methylmethanamine?
N-[(E)-(2-ethenyl-2,5-dimethylhex-4-enylidene)amino]-N-methylmethanamine has a molecular weight of 194.32 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-ethenyl-2,5-dimethylhex-4-enylidene)amino]-N-methylmethanamine is sourced from PubChem (CID 10559744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).