3-ethenyl-6-imino-N,N-dimethyloct-3-en-2-amine

C12H22N2 — CID 123750276

IUPAC3-ethenyl-6-imino-N,N-dimethyloct-3-en-2-amine
SMILES[H]/N=C(\CC)CC=C(C=C)C(C)N(C)C
InChIInChI=1S/C12H22N2/c1-6-11(10(3)14(4)5)8-9-12(13)7-2/h6,8,10,13H,1,7,9H2,2-5H3/b11-8?,13-12+
InChIKeyMVHLWKNMHKDEHR-ZHSPKSDKSA-N
MW194.32 g/mol
LogP2.87
Rot. Bonds6

About 3-ethenyl-6-imino-N,N-dimethyloct-3-en-2-amine

3-ethenyl-6-imino-N,N-dimethyloct-3-en-2-amine (PubChem CID 123750276) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-ethenyl-6-imino-N,N-dimethyloct-3-en-2-amine.

Molecular Properties

Compound Name3-ethenyl-6-imino-N,N-dimethyloct-3-en-2-amine
PubChem CID123750276
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3-ethenyl-6-imino-N,N-dimethyloct-3-en-2-amine
SMILES[H]/N=C(\CC)CC=C(C=C)C(C)N(C)C
InChIInChI=1S/C12H22N2/c1-6-11(10(3)14(4)5)8-9-12(13)7-2/h6,8,10,13H,1,7,9H2,2-5H3/b11-8?,13-12+
InChIKeyMVHLWKNMHKDEHR-ZHSPKSDKSA-N
XLogP2.87
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclohexa-1,5-dien-1-yl-2-iminopropan-1-amine
CID 91298887
(4E)-N-ethyl-7-imino-4-methyl-N-propylocta-2,4-dien-3-amine
CID 123197646
4-(5-ethenyl-4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-imine
CID 123446877
N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-N-methylbutan-1-amine
CID 123494969
N,2-dimethyl-N-[1-(3-propanimidoylcyclopenta-2,4-dien-1-yl)ethyl]propan-1-amine
CID 123538088
N-[(Z)-(6-imino-2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-N-methylethanamine
CID 130225371
(Z)-1-N,1-N,5-N,5-N-tetramethyl-4-propylidenehept-2-ene-1,5-diamine
CID 138664657
(E,5S)-N,5-dimethyl-4-methylidene-6-methylimino-2-[(Z)-prop-1-enyl]hept-2-en-1-amine
CID 155001739
6-imino-N,N,3,4-tetramethylcyclohexa-2,4-dien-1-amine
CID 164169978
1-[(5Z)-8-ethyl-2,7-dihydroazocin-4-yl]-N-methylmethanamine
CID 166694624
(5E,7Z)-5-ethyl-2-imino-N,N-dimethyldeca-5,7-dien-1-amine
CID 170211720
3-cyclohexa-1,5-dien-1-yl-3-imino-N,N-dimethylpropan-1-amine
CID 144627063

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-6-imino-N,N-dimethyloct-3-en-2-amine?
The IUPAC name of 3-ethenyl-6-imino-N,N-dimethyloct-3-en-2-amine (CID 123750276) is 3-ethenyl-6-imino-N,N-dimethyloct-3-en-2-amine.
What is the SMILES notation for 3-ethenyl-6-imino-N,N-dimethyloct-3-en-2-amine?
The canonical SMILES for 3-ethenyl-6-imino-N,N-dimethyloct-3-en-2-amine is [H]/N=C(\CC)CC=C(C=C)C(C)N(C)C.
What is the InChIKey of 3-ethenyl-6-imino-N,N-dimethyloct-3-en-2-amine?
The InChIKey is MVHLWKNMHKDEHR-ZHSPKSDKSA-N. The full InChI is InChI=1S/C12H22N2/c1-6-11(10(3)14(4)5)8-9-12(13)7-2/h6,8,10,13H,1,7,9H2,2-5H3/b11-8?,13-12+.
What are the key properties of 3-ethenyl-6-imino-N,N-dimethyloct-3-en-2-amine?
3-ethenyl-6-imino-N,N-dimethyloct-3-en-2-amine has a molecular weight of 194.32 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-6-imino-N,N-dimethyloct-3-en-2-amine is sourced from PubChem (CID 123750276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).