1-cyclohex-2-en-1-yl-N,N-dimethylmethanamine

C9H17N — CID 21391823

IUPAC1-cyclohex-2-en-1-yl-N,N-dimethylmethanamine
SMILESCN(C)CC1C=CCCC1
InChIInChI=1S/C9H17N/c1-10(2)8-9-6-4-3-5-7-9/h4,6,9H,3,5,7-8H2,1-2H3
InChIKeyLCBPHLZGBZGUKI-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.90
Rot. Bonds2

About 1-cyclohex-2-en-1-yl-N,N-dimethylmethanamine

1-cyclohex-2-en-1-yl-N,N-dimethylmethanamine (PubChem CID 21391823) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-N,N-dimethylmethanamine
PubChem CID21391823
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-cyclohex-2-en-1-yl-N,N-dimethylmethanamine
SMILESCN(C)CC1C=CCCC1
InChIInChI=1S/C9H17N/c1-10(2)8-9-6-4-3-5-7-9/h4,6,9H,3,5,7-8H2,1-2H3
InChIKeyLCBPHLZGBZGUKI-UHFFFAOYSA-N
XLogP1.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 200464
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N,N-Diethyl-3,7-dimethyl-6-octen-1-amine
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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
Cambridge id 5427223
CID 2845934
Cambridge id 5431361
CID 2846179

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yl-N,N-dimethylmethanamine?
The IUPAC name of 1-cyclohex-2-en-1-yl-N,N-dimethylmethanamine (CID 21391823) is 1-cyclohex-2-en-1-yl-N,N-dimethylmethanamine.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-N,N-dimethylmethanamine?
The canonical SMILES for 1-cyclohex-2-en-1-yl-N,N-dimethylmethanamine is CN(C)CC1C=CCCC1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-N,N-dimethylmethanamine?
The InChIKey is LCBPHLZGBZGUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-10(2)8-9-6-4-3-5-7-9/h4,6,9H,3,5,7-8H2,1-2H3.
What are the key properties of 1-cyclohex-2-en-1-yl-N,N-dimethylmethanamine?
1-cyclohex-2-en-1-yl-N,N-dimethylmethanamine has a molecular weight of 139.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yl-N,N-dimethylmethanamine is sourced from PubChem (CID 21391823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).