N-[(4-methyloxan-4-yl)methyl]cyclohex-3-en-1-amine

C13H23NO — CID 104586369

IUPACN-[(4-methyloxan-4-yl)methyl]cyclohex-3-en-1-amine
SMILESCC1(CNC2CC=CCC2)CCOCC1
InChIInChI=1S/C13H23NO/c1-13(7-9-15-10-8-13)11-14-12-5-3-2-4-6-12/h2-3,12,14H,4-11H2,1H3
InChIKeySJUPZAROGVQTFX-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.50
Rot. Bonds3

About N-[(4-methyloxan-4-yl)methyl]cyclohex-3-en-1-amine

N-[(4-methyloxan-4-yl)methyl]cyclohex-3-en-1-amine (PubChem CID 104586369) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]cyclohex-3-en-1-amine.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]cyclohex-3-en-1-amine
PubChem CID104586369
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[(4-methyloxan-4-yl)methyl]cyclohex-3-en-1-amine
SMILESCC1(CNC2CC=CCC2)CCOCC1
InChIInChI=1S/C13H23NO/c1-13(7-9-15-10-8-13)11-14-12-5-3-2-4-6-12/h2-3,12,14H,4-11H2,1H3
InChIKeySJUPZAROGVQTFX-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(4-methyloxan-4-yl)methyl]cyclohex-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Oxa-8-azaspiro(5.6)dodec-10-ene hydrochloride
CID 137928022
3-Oxa-8-azaspiro[5.6]dodec-10-ene
CID 137928023
1-(4-cyclohexa-1,5-dien-1-yloxan-4-yl)-N-methylmethanamine
CID 143143722
N-(2-ethyl-2-methylbut-3-enyl)oxan-4-amine
CID 144399280
4-(Cyclohexa-1,5-dien-1-ylmethyl)-4-(methoxymethyl)piperidine
CID 145601329
N-(4-tert-butylcyclohex-3-en-1-yl)oxan-4-amine
CID 177265475
N-(cyclohex-3-en-1-ylmethyl)oxan-4-amine
CID 43609615
4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propan-2-ylbutan-1-amine
CID 55078151
N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)methanamine
CID 62386045
N-ethyl-4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine
CID 62456471
4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylbutan-1-amine
CID 62456472
N-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine
CID 62456658

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]cyclohex-3-en-1-amine?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]cyclohex-3-en-1-amine (CID 104586369) is N-[(4-methyloxan-4-yl)methyl]cyclohex-3-en-1-amine.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]cyclohex-3-en-1-amine?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]cyclohex-3-en-1-amine is CC1(CNC2CC=CCC2)CCOCC1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]cyclohex-3-en-1-amine?
The InChIKey is SJUPZAROGVQTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-13(7-9-15-10-8-13)11-14-12-5-3-2-4-6-12/h2-3,12,14H,4-11H2,1H3.
What are the key properties of N-[(4-methyloxan-4-yl)methyl]cyclohex-3-en-1-amine?
N-[(4-methyloxan-4-yl)methyl]cyclohex-3-en-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]cyclohex-3-en-1-amine is sourced from PubChem (CID 104586369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).