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

C13H23NO — CID 61020714

IUPAC1-cyclohex-3-en-1-yl-N-(oxan-3-ylmethyl)methanamine
SMILESC1=CCC(CNCC2CCCOC2)CC1
InChIInChI=1S/C13H23NO/c1-2-5-12(6-3-1)9-14-10-13-7-4-8-15-11-13/h1-2,12-14H,3-11H2
InChIKeyOAZCIBNVORLEAX-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.36
Rot. Bonds4

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

1-cyclohex-3-en-1-yl-N-(oxan-3-ylmethyl)methanamine (PubChem CID 61020714) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-N-(oxan-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-N-(oxan-3-ylmethyl)methanamine
PubChem CID61020714
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-cyclohex-3-en-1-yl-N-(oxan-3-ylmethyl)methanamine
SMILESC1=CCC(CNCC2CCCOC2)CC1
InChIInChI=1S/C13H23NO/c1-2-5-12(6-3-1)9-14-10-13-7-4-8-15-11-13/h1-2,12-14H,3-11H2
InChIKeyOAZCIBNVORLEAX-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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Related Compounds

(Cyclohex-3-en-1-ylmethyl)(tetrahydrofuran-2-ylmethyl)amine
CID 17053140
N-(oxan-3-ylmethyl)but-3-en-1-amine
CID 64314422
2-(Cyclohex-3-en-1-yl)morpholine
CID 67609598
4-[(4R)-4-methylcyclohexen-1-yl]oxypiperidine
CID 68082956
N-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine
CID 71069597
3-(Cyclohexa-1,3-dien-1-yloxymethyl)piperidine
CID 146685265
3-(Cyclohexa-1,3-dien-1-yloxymethyl)-2-methylpiperidine
CID 173509032
4-(3,4-dihydro-2H-pyran-3-yl)piperidine
CID 174737485
1-[(1R)-cyclohex-3-en-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
CID 1532888
1-[(1R)-cyclohex-3-en-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 27444133
1-[(1S)-cyclohex-3-en-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 27444135
1-[(1S)-cyclohex-3-en-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
CID 27444137

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-N-(oxan-3-ylmethyl)methanamine?
The IUPAC name of 1-cyclohex-3-en-1-yl-N-(oxan-3-ylmethyl)methanamine (CID 61020714) is 1-cyclohex-3-en-1-yl-N-(oxan-3-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-N-(oxan-3-ylmethyl)methanamine?
The canonical SMILES for 1-cyclohex-3-en-1-yl-N-(oxan-3-ylmethyl)methanamine is C1=CCC(CNCC2CCCOC2)CC1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-N-(oxan-3-ylmethyl)methanamine?
The InChIKey is OAZCIBNVORLEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-5-12(6-3-1)9-14-10-13-7-4-8-15-11-13/h1-2,12-14H,3-11H2.
What are the key properties of 1-cyclohex-3-en-1-yl-N-(oxan-3-ylmethyl)methanamine?
1-cyclohex-3-en-1-yl-N-(oxan-3-ylmethyl)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 1-cyclohex-3-en-1-yl-N-(oxan-3-ylmethyl)methanamine is sourced from PubChem (CID 61020714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).