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

C14H25NO — CID 103277001

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methyloxolan-3-amine
SMILESCC1=CC(C)CC(CNC2CCOC2C)C1
InChIInChI=1S/C14H25NO/c1-10-6-11(2)8-13(7-10)9-15-14-4-5-16-12(14)3/h6,10,12-15H,4-5,7-9H2,1-3H3
InChIKeyZOWVUDIAEDKWCR-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.75
Rot. Bonds3

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

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methyloxolan-3-amine (PubChem CID 103277001) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methyloxolan-3-amine
PubChem CID103277001
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methyloxolan-3-amine
SMILESCC1=CC(C)CC(CNC2CCOC2C)C1
InChIInChI=1S/C14H25NO/c1-10-6-11(2)8-13(7-10)9-15-14-4-5-16-12(14)3/h6,10,12-15H,4-5,7-9H2,1-3H3
InChIKeyZOWVUDIAEDKWCR-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.75
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-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methyloxolan-3-amine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methyloxolan-3-amine (CID 103277001) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methyloxolan-3-amine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methyloxolan-3-amine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methyloxolan-3-amine is CC1=CC(C)CC(CNC2CCOC2C)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methyloxolan-3-amine?
The InChIKey is ZOWVUDIAEDKWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-10-6-11(2)8-13(7-10)9-15-14-4-5-16-12(14)3/h6,10,12-15H,4-5,7-9H2,1-3H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methyloxolan-3-amine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methyloxolan-3-amine has a molecular weight of 223.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 103277001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).