6-methyl-4-(2-methyloxolan-2-yl)cyclohex-3-en-1-amine

C12H21NO — CID 89074181

IUPAC6-methyl-4-(2-methyloxolan-2-yl)cyclohex-3-en-1-amine
SMILESCC1CC(C2(C)CCCO2)=CCC1N
InChIInChI=1S/C12H21NO/c1-9-8-10(4-5-11(9)13)12(2)6-3-7-14-12/h4,9,11H,3,5-8,13H2,1-2H3
InChIKeyWWYARYXATRZINS-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.24
Rot. Bonds1

About 6-methyl-4-(2-methyloxolan-2-yl)cyclohex-3-en-1-amine

6-methyl-4-(2-methyloxolan-2-yl)cyclohex-3-en-1-amine (PubChem CID 89074181) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 6-methyl-4-(2-methyloxolan-2-yl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name6-methyl-4-(2-methyloxolan-2-yl)cyclohex-3-en-1-amine
PubChem CID89074181
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name6-methyl-4-(2-methyloxolan-2-yl)cyclohex-3-en-1-amine
SMILESCC1CC(C2(C)CCCO2)=CCC1N
InChIInChI=1S/C12H21NO/c1-9-8-10(4-5-11(9)13)12(2)6-3-7-14-12/h4,9,11H,3,5-8,13H2,1-2H3
InChIKeyWWYARYXATRZINS-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(Methoxymethyl)cyclohex-3-en-1-yl]butan-2-amine
CID 68340930
(1S,5R,6R)-6-methyl-5-pentan-3-yloxy-3-propan-2-ylcyclohex-3-en-1-amine
CID 89804945
(1S,5R,6R)-3-ethyl-N,6-dimethyl-5-pentan-3-yloxycyclohex-3-en-1-amine
CID 118097478
Cyclohexen-1-yl-(2-methyloxolan-2-yl)methanamine
CID 80182216
Cyclohexen-1-yl-(3-methyloxolan-2-yl)methanamine
CID 81574995
4-(Oxolan-3-yl)cyclohex-3-en-1-amine
CID 83261130
4-(Propoxymethyl)cyclohex-3-en-1-amine
CID 83261990
4-(Propan-2-yloxymethyl)cyclohex-3-en-1-amine
CID 83262098
4-(Ethoxymethyl)cyclohex-3-en-1-amine
CID 83262419
4-(1-Oxaspiro[4.5]decan-2-ylmethylidene)cyclohexan-1-amine
CID 102902812
4-(1-Oxaspiro[4.4]nonan-2-ylmethylidene)cyclohexan-1-amine
CID 102902814
3-(1-Oxaspiro[4.5]decan-2-ylmethylidene)cyclopentan-1-amine
CID 102902823

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(2-methyloxolan-2-yl)cyclohex-3-en-1-amine?
The IUPAC name of 6-methyl-4-(2-methyloxolan-2-yl)cyclohex-3-en-1-amine (CID 89074181) is 6-methyl-4-(2-methyloxolan-2-yl)cyclohex-3-en-1-amine.
What is the SMILES notation for 6-methyl-4-(2-methyloxolan-2-yl)cyclohex-3-en-1-amine?
The canonical SMILES for 6-methyl-4-(2-methyloxolan-2-yl)cyclohex-3-en-1-amine is CC1CC(C2(C)CCCO2)=CCC1N.
What is the InChIKey of 6-methyl-4-(2-methyloxolan-2-yl)cyclohex-3-en-1-amine?
The InChIKey is WWYARYXATRZINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9-8-10(4-5-11(9)13)12(2)6-3-7-14-12/h4,9,11H,3,5-8,13H2,1-2H3.
What are the key properties of 6-methyl-4-(2-methyloxolan-2-yl)cyclohex-3-en-1-amine?
6-methyl-4-(2-methyloxolan-2-yl)cyclohex-3-en-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(2-methyloxolan-2-yl)cyclohex-3-en-1-amine is sourced from PubChem (CID 89074181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).