N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine

C18H33NO — CID 103277914

IUPACN-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC1=CC(C)CC(C2OCCCC2CNC(C)(C)C)C1
InChIInChI=1S/C18H33NO/c1-13-9-14(2)11-16(10-13)17-15(7-6-8-20-17)12-19-18(3,4)5/h9,13,15-17,19H,6-8,10-12H2,1-5H3
InChIKeyWQXAOGSVBAKMDZ-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.16
Rot. Bonds3

About N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine

N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 103277914) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID103277914
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC1=CC(C)CC(C2OCCCC2CNC(C)(C)C)C1
InChIInChI=1S/C18H33NO/c1-13-9-14(2)11-16(10-13)17-15(7-6-8-20-17)12-19-18(3,4)5/h9,13,15-17,19H,6-8,10-12H2,1-5H3
InChIKeyWQXAOGSVBAKMDZ-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine (CID 103277914) is N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine is CC1=CC(C)CC(C2OCCCC2CNC(C)(C)C)C1.
What is the InChIKey of N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is WQXAOGSVBAKMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-13-9-14(2)11-16(10-13)17-15(7-6-8-20-17)12-19-18(3,4)5/h9,13,15-17,19H,6-8,10-12H2,1-5H3.
What are the key properties of N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 279.47 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103277914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).