N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)methanamine

C13H23NO — CID 62386045

IUPACN-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)methanamine
SMILESC1=CCC(CNCC2CCOCC2)CC1
InChIInChI=1S/C13H23NO/c1-2-4-12(5-3-1)10-14-11-13-6-8-15-9-7-13/h1-2,12-14H,3-11H2
InChIKeyJVETVHCPGBBDCH-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.36
Rot. Bonds4

About N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)methanamine

N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)methanamine (PubChem CID 62386045) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)methanamine
PubChem CID62386045
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)methanamine
SMILESC1=CCC(CNCC2CCOCC2)CC1
InChIInChI=1S/C13H23NO/c1-2-4-12(5-3-1)10-14-11-13-6-8-15-9-7-13/h1-2,12-14H,3-11H2
InChIKeyJVETVHCPGBBDCH-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.36
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-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)methanamine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)methanamine (CID 62386045) is N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)methanamine is C1=CCC(CNCC2CCOCC2)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)methanamine?
The InChIKey is JVETVHCPGBBDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-4-12(5-3-1)10-14-11-13-6-8-15-9-7-13/h1-2,12-14H,3-11H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)methanamine?
N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)methanamine has a molecular weight of 209.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 62386045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).