N-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]-2-methylpropan-1-amine

C19H33NO — CID 116662386

IUPACN-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(C2=CCCCC2)CC2(CCOCC2)C1
InChIInChI=1S/C19H33NO/c1-16(2)12-20-15-19(17-6-4-3-5-7-17)13-18(14-19)8-10-21-11-9-18/h6,16,20H,3-5,7-15H2,1-2H3
InChIKeyVRGQUEDFIHEYEW-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.31
Rot. Bonds5

About N-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]-2-methylpropan-1-amine

N-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 116662386) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID116662386
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(C2=CCCCC2)CC2(CCOCC2)C1
InChIInChI=1S/C19H33NO/c1-16(2)12-20-15-19(17-6-4-3-5-7-17)13-18(14-19)8-10-21-11-9-18/h6,16,20H,3-5,7-15H2,1-2H3
InChIKeyVRGQUEDFIHEYEW-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]-2-methylpropan-1-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-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]-2-methylpropan-1-amine (CID 116662386) is N-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(C2=CCCCC2)CC2(CCOCC2)C1.
What is the InChIKey of N-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is VRGQUEDFIHEYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-16(2)12-20-15-19(17-6-4-3-5-7-17)13-18(14-19)8-10-21-11-9-18/h6,16,20H,3-5,7-15H2,1-2H3.
What are the key properties of N-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 116662386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).