N-(3-methylcyclohex-2-en-1-yl)oxetan-3-amine

C10H17NO — CID 177317331

IUPACN-(3-methylcyclohex-2-en-1-yl)oxetan-3-amine
SMILESCC1=CC(NC2COC2)CCC1
InChIInChI=1S/C10H17NO/c1-8-3-2-4-9(5-8)11-10-6-12-7-10/h5,9-11H,2-4,6-7H2,1H3
InChIKeyCNJOLNUCPUGYNM-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.47
Rot. Bonds2

About N-(3-methylcyclohex-2-en-1-yl)oxetan-3-amine

N-(3-methylcyclohex-2-en-1-yl)oxetan-3-amine (PubChem CID 177317331) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-(3-methylcyclohex-2-en-1-yl)oxetan-3-amine.

Molecular Properties

Compound NameN-(3-methylcyclohex-2-en-1-yl)oxetan-3-amine
PubChem CID177317331
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-(3-methylcyclohex-2-en-1-yl)oxetan-3-amine
SMILESCC1=CC(NC2COC2)CCC1
InChIInChI=1S/C10H17NO/c1-8-3-2-4-9(5-8)11-10-6-12-7-10/h5,9-11H,2-4,6-7H2,1H3
InChIKeyCNJOLNUCPUGYNM-UHFFFAOYSA-N
XLogP1.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.47
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-methylcyclohex-2-en-1-yl)oxetan-3-amine?
The IUPAC name of N-(3-methylcyclohex-2-en-1-yl)oxetan-3-amine (CID 177317331) is N-(3-methylcyclohex-2-en-1-yl)oxetan-3-amine.
What is the SMILES notation for N-(3-methylcyclohex-2-en-1-yl)oxetan-3-amine?
The canonical SMILES for N-(3-methylcyclohex-2-en-1-yl)oxetan-3-amine is CC1=CC(NC2COC2)CCC1.
What is the InChIKey of N-(3-methylcyclohex-2-en-1-yl)oxetan-3-amine?
The InChIKey is CNJOLNUCPUGYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-3-2-4-9(5-8)11-10-6-12-7-10/h5,9-11H,2-4,6-7H2,1H3.
What are the key properties of N-(3-methylcyclohex-2-en-1-yl)oxetan-3-amine?
N-(3-methylcyclohex-2-en-1-yl)oxetan-3-amine has a molecular weight of 167.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohex-2-en-1-yl)oxetan-3-amine is sourced from PubChem (CID 177317331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).