N-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine

C16H29NO — CID 116662380

IUPACN-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(C2=CCCCC2)CCOCC1
InChIInChI=1S/C16H29NO/c1-14(2)12-17-13-16(8-10-18-11-9-16)15-6-4-3-5-7-15/h6,14,17H,3-5,7-13H2,1-2H3
InChIKeyGFZRKQWYGMLANX-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.53
Rot. Bonds5

About N-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine

N-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 116662380) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID116662380
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(C2=CCCCC2)CCOCC1
InChIInChI=1S/C16H29NO/c1-14(2)12-17-13-16(8-10-18-11-9-16)15-6-4-3-5-7-15/h6,14,17H,3-5,7-13H2,1-2H3
InChIKeyGFZRKQWYGMLANX-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[4-(cyclohexen-1-yl)oxan-4-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-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine (CID 116662380) is N-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(C2=CCCCC2)CCOCC1.
What is the InChIKey of N-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is GFZRKQWYGMLANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-14(2)12-17-13-16(8-10-18-11-9-16)15-6-4-3-5-7-15/h6,14,17H,3-5,7-13H2,1-2H3.
What are the key properties of N-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine?
N-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 116662380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).