[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methanamine

C14H25NO — CID 103277815

IUPAC[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methanamine
SMILESCC1=CC(C)CC(C2OCCCC2CN)C1
InChIInChI=1S/C14H25NO/c1-10-6-11(2)8-13(7-10)14-12(9-15)4-3-5-16-14/h6,10,12-14H,3-5,7-9,15H2,1-2H3
InChIKeySXFAYSROFRTTLB-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.73
Rot. Bonds2

About [2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methanamine

[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methanamine (PubChem CID 103277815) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is [2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methanamine.

Molecular Properties

Compound Name[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methanamine
PubChem CID103277815
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methanamine
SMILESCC1=CC(C)CC(C2OCCCC2CN)C1
InChIInChI=1S/C14H25NO/c1-10-6-11(2)8-13(7-10)14-12(9-15)4-3-5-16-14/h6,10,12-14H,3-5,7-9,15H2,1-2H3
InChIKeySXFAYSROFRTTLB-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,4,5-trimethylphenyl)oxan-3-yl]methanamine
CID 114078375
(3,5-dimethylcyclohex-3-en-1-yl)methanamine
CID 103275915
5-tert-butyl-2-(3,5-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane
CID 19803366
[2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanamine
CID 102844835
[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl]methanamine
CID 172551855
[2-(oxolan-2-yl)oxolan-3-yl]methanamine
CID 82837467
[(2S,3S)-2-phenyloxan-3-yl]methanamine
CID 51892912
[2-(3-bromo-4-methylphenyl)oxan-3-yl]methanamine
CID 105411661
[2-(4-tert-butylcyclohexyl)oxolan-3-yl]methanamine
CID 104575993
(1R,6R)-8-[(2-methylphenyl)methyl]-2-oxabicyclo[4.2.0]octane
CID 53255147
[2-(4-chlorothiophen-2-yl)oxan-3-yl]methanamine
CID 79427333
[2-(3-cyclopropylphenyl)oxan-3-yl]methanamine
CID 79978587

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methanamine?
The IUPAC name of [2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methanamine (CID 103277815) is [2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methanamine.
What is the SMILES notation for [2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methanamine?
The canonical SMILES for [2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methanamine is CC1=CC(C)CC(C2OCCCC2CN)C1.
What is the InChIKey of [2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methanamine?
The InChIKey is SXFAYSROFRTTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-10-6-11(2)8-13(7-10)14-12(9-15)4-3-5-16-14/h6,10,12-14H,3-5,7-9,15H2,1-2H3.
What are the key properties of [2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methanamine?
[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methanamine has a molecular weight of 223.36 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methanamine is sourced from PubChem (CID 103277815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).