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

C17H31NO — CID 103277908

IUPACN-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC1=CC(C)CC(C2OCCC2CNCC(C)C)C1
InChIInChI=1S/C17H31NO/c1-12(2)10-18-11-15-5-6-19-17(15)16-8-13(3)7-14(4)9-16/h7,12-13,15-18H,5-6,8-11H2,1-4H3
InChIKeyIWNYPIBBVDQHSH-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.63
Rot. Bonds5

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

N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 103277908) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID103277908
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC1=CC(C)CC(C2OCCC2CNCC(C)C)C1
InChIInChI=1S/C17H31NO/c1-12(2)10-18-11-15-5-6-19-17(15)16-8-13(3)7-14(4)9-16/h7,12-13,15-18H,5-6,8-11H2,1-4H3
InChIKeyIWNYPIBBVDQHSH-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine (CID 103277908) is N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine is CC1=CC(C)CC(C2OCCC2CNCC(C)C)C1.
What is the InChIKey of N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is IWNYPIBBVDQHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-12(2)10-18-11-15-5-6-19-17(15)16-8-13(3)7-14(4)9-16/h7,12-13,15-18H,5-6,8-11H2,1-4H3.
What are the key properties of N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 3.63, 5 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)oxolan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103277908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).