3-(3-methoxy-3-methylbutyl)-5,5-dimethylcyclohex-2-en-1-amine

C14H27NO — CID 103037570

IUPAC3-(3-methoxy-3-methylbutyl)-5,5-dimethylcyclohex-2-en-1-amine
SMILESCOC(C)(C)CCC1=CC(N)CC(C)(C)C1
InChIInChI=1S/C14H27NO/c1-13(2)9-11(8-12(15)10-13)6-7-14(3,4)16-5/h8,12H,6-7,9-10,15H2,1-5H3
InChIKeyUXQKTBSWSZSVRC-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.27
Rot. Bonds4

About 3-(3-methoxy-3-methylbutyl)-5,5-dimethylcyclohex-2-en-1-amine

3-(3-methoxy-3-methylbutyl)-5,5-dimethylcyclohex-2-en-1-amine (PubChem CID 103037570) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-(3-methoxy-3-methylbutyl)-5,5-dimethylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-(3-methoxy-3-methylbutyl)-5,5-dimethylcyclohex-2-en-1-amine
PubChem CID103037570
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-(3-methoxy-3-methylbutyl)-5,5-dimethylcyclohex-2-en-1-amine
SMILESCOC(C)(C)CCC1=CC(N)CC(C)(C)C1
InChIInChI=1S/C14H27NO/c1-13(2)9-11(8-12(15)10-13)6-7-14(3,4)16-5/h8,12H,6-7,9-10,15H2,1-5H3
InChIKeyUXQKTBSWSZSVRC-UHFFFAOYSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.27
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

5,5-Dimethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclohex-2-en-1-amine
CID 65177475
Sodium 4-[2-(4-aminocyclohexen-1-yl)propan-2-yl]cyclohex-3-en-1-olate
CID 144346955
4-(5-Methoxy-1,5-dimethylcyclohex-2-en-1-yl)butan-1-amine
CID 151719316
3-(15-Methoxypentadecyl)-2,4,4-trimethylcyclohex-2-en-1-amine
CID 162724301
(Z,4R,5S,6S,7R,8S)-8-(2-methoxybutan-2-yl)-3,3,5,6-tetramethyl-7-[(Z)-prop-1-enyl]dodec-9-en-4-amine
CID 173847222
3-(1-Methoxypropan-2-yl)cyclohex-2-en-1-amine
CID 65171654
3-(3-Methoxypropyl)cyclohex-2-en-1-amine
CID 65171746
5,5-Dimethyl-3-[2-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine
CID 65176858
3-(3-Methoxypropyl)-5,5-dimethylcyclohex-2-en-1-amine
CID 65176912
3-(1-Methoxypropan-2-yl)-5,5-dimethylcyclohex-2-en-1-amine
CID 65177087
5,5-Dimethyl-3-(oxolan-3-yl)cyclohex-2-en-1-amine
CID 65177187
5,5-Dimethyl-3-[3-(oxolan-2-yl)propyl]cyclohex-2-en-1-amine
CID 65177254

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-3-methylbutyl)-5,5-dimethylcyclohex-2-en-1-amine?
The IUPAC name of 3-(3-methoxy-3-methylbutyl)-5,5-dimethylcyclohex-2-en-1-amine (CID 103037570) is 3-(3-methoxy-3-methylbutyl)-5,5-dimethylcyclohex-2-en-1-amine.
What is the SMILES notation for 3-(3-methoxy-3-methylbutyl)-5,5-dimethylcyclohex-2-en-1-amine?
The canonical SMILES for 3-(3-methoxy-3-methylbutyl)-5,5-dimethylcyclohex-2-en-1-amine is COC(C)(C)CCC1=CC(N)CC(C)(C)C1.
What is the InChIKey of 3-(3-methoxy-3-methylbutyl)-5,5-dimethylcyclohex-2-en-1-amine?
The InChIKey is UXQKTBSWSZSVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-13(2)9-11(8-12(15)10-13)6-7-14(3,4)16-5/h8,12H,6-7,9-10,15H2,1-5H3.
What are the key properties of 3-(3-methoxy-3-methylbutyl)-5,5-dimethylcyclohex-2-en-1-amine?
3-(3-methoxy-3-methylbutyl)-5,5-dimethylcyclohex-2-en-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-3-methylbutyl)-5,5-dimethylcyclohex-2-en-1-amine is sourced from PubChem (CID 103037570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).