1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine;ethane

C11H23N — CID 177009709

IUPAC1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine;ethane
SMILESCC.CN(C)CC1CC=CCC1
InChIInChI=1S/C9H17N.C2H6/c1-10(2)8-9-6-4-3-5-7-9;1-2/h3-4,9H,5-8H2,1-2H3;1-2H3
InChIKeyCDXZSYUGUVMDDJ-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.93
Rot. Bonds2

About 1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine;ethane

1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine;ethane (PubChem CID 177009709) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine;ethane.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine;ethane
PubChem CID177009709
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine;ethane
SMILESCC.CN(C)CC1CC=CCC1
InChIInChI=1S/C9H17N.C2H6/c1-10(2)8-9-6-4-3-5-7-9;1-2/h3-4,9H,5-8H2,1-2H3;1-2H3
InChIKeyCDXZSYUGUVMDDJ-UHFFFAOYSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.93
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

N'-(cyclohex-3-en-1-ylmethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine
CID 2845835
2-[cyclohex-3-en-1-ylmethyl(2-hydroxyethyl)amino]ethanol
CID 2846062
2-[[cyclohex-3-en-1-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol
CID 115883971
3-N-(cyclohex-3-en-1-ylmethyl)-2-N,2-N,3-N-trimethylpyrazine-2,3-diamine
CID 133475752
4-propylcyclohexene
CID 518777
1-[(1S,6R)-6-[(dimethylamino)methyl]cyclohex-3-en-1-yl]-N,N-dimethylmethanamine
CID 12505970
(4R)-4-(methoxymethyl)cyclohexene
CID 124567710
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-propan-2-yloxan-4-amine
CID 97159967
1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 124568392
(1R)-2-[[(1S)-cyclohex-3-en-1-yl]methyl-methylamino]-1-phenylethanol
CID 7074499
1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 129397890
N-(cyclohex-3-en-1-ylmethyl)-2,3-dihydroxy-N-methylbenzamide
CID 119050486

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine;ethane?
The IUPAC name of 1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine;ethane (CID 177009709) is 1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine;ethane.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine;ethane?
The canonical SMILES for 1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine;ethane is CC.CN(C)CC1CC=CCC1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine;ethane?
The InChIKey is CDXZSYUGUVMDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C2H6/c1-10(2)8-9-6-4-3-5-7-9;1-2/h3-4,9H,5-8H2,1-2H3;1-2H3.
What are the key properties of 1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine;ethane?
1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine;ethane has a molecular weight of 169.31 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine;ethane is sourced from PubChem (CID 177009709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).