1-[(1S,6R)-6-[(dimethylamino)methyl]cyclohex-3-en-1-yl]-N,N-dimethylmethanamine

C12H24N2 — CID 12505970

IUPAC1-[(1S,6R)-6-[(dimethylamino)methyl]cyclohex-3-en-1-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@H]1CC=CC[C@H]1CN(C)C
InChIInChI=1S/C12H24N2/c1-13(2)9-11-7-5-6-8-12(11)10-14(3)4/h5-6,11-12H,7-10H2,1-4H3/t11-,12+
InChIKeySKTKZEYAEQODSX-TXEJJXNPSA-N
MW196.34 g/mol
LogP1.69
Rot. Bonds4

About 1-[(1S,6R)-6-[(dimethylamino)methyl]cyclohex-3-en-1-yl]-N,N-dimethylmethanamine

1-[(1S,6R)-6-[(dimethylamino)methyl]cyclohex-3-en-1-yl]-N,N-dimethylmethanamine (PubChem CID 12505970) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-[(1S,6R)-6-[(dimethylamino)methyl]cyclohex-3-en-1-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(1S,6R)-6-[(dimethylamino)methyl]cyclohex-3-en-1-yl]-N,N-dimethylmethanamine
PubChem CID12505970
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-[(1S,6R)-6-[(dimethylamino)methyl]cyclohex-3-en-1-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@H]1CC=CC[C@H]1CN(C)C
InChIInChI=1S/C12H24N2/c1-13(2)9-11-7-5-6-8-12(11)10-14(3)4/h5-6,11-12H,7-10H2,1-4H3/t11-,12+
InChIKeySKTKZEYAEQODSX-TXEJJXNPSA-N
XLogP1.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Isoindoline, 3a,4,7,7a-tetrahydro-2-(diethylaminoethyl)-
CID 52577
Pyrrolidine, 1-(3-cyclohexene-1-ylmethyl)-, hydrochloride
CID 200464
3-Cyclohexene-1-methylamine, N-methyl-N-2-propynyl-
CID 202797
N,N-Diethyl-3,7-dimethyl-6-octen-1-amine
CID 14525584
Ethylamine, 2-(2-cyclopentenyl)-N,N,1-trimethyl-
CID 49664
3-Cyclohexene-1-methylamine, N,N-dimethyl-, hydrochloride
CID 200461
3-Cyclohexene-1-methylamine, N,N-diethyl-, hydrochloride
CID 200463
3-Cyclohexene-1-methylamine, N-cyclopropyl-N-methyl-
CID 204472
[(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium iodide
CID 118719152
trimethyl-[[(1R)-3-methylcyclopent-3-en-1-yl]methyl]azanium iodide
CID 118719169
Cambridge id 5425829
CID 2845835
Piperazine, 1-(3-cyclohexen-1-ylmethyl)-4-ethyl-(9CI)
CID 2845926

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,6R)-6-[(dimethylamino)methyl]cyclohex-3-en-1-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(1S,6R)-6-[(dimethylamino)methyl]cyclohex-3-en-1-yl]-N,N-dimethylmethanamine (CID 12505970) is 1-[(1S,6R)-6-[(dimethylamino)methyl]cyclohex-3-en-1-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(1S,6R)-6-[(dimethylamino)methyl]cyclohex-3-en-1-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(1S,6R)-6-[(dimethylamino)methyl]cyclohex-3-en-1-yl]-N,N-dimethylmethanamine is CN(C)C[C@H]1CC=CC[C@H]1CN(C)C.
What is the InChIKey of 1-[(1S,6R)-6-[(dimethylamino)methyl]cyclohex-3-en-1-yl]-N,N-dimethylmethanamine?
The InChIKey is SKTKZEYAEQODSX-TXEJJXNPSA-N. The full InChI is InChI=1S/C12H24N2/c1-13(2)9-11-7-5-6-8-12(11)10-14(3)4/h5-6,11-12H,7-10H2,1-4H3/t11-,12+.
What are the key properties of 1-[(1S,6R)-6-[(dimethylamino)methyl]cyclohex-3-en-1-yl]-N,N-dimethylmethanamine?
1-[(1S,6R)-6-[(dimethylamino)methyl]cyclohex-3-en-1-yl]-N,N-dimethylmethanamine has a molecular weight of 196.34 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,6R)-6-[(dimethylamino)methyl]cyclohex-3-en-1-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 12505970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).