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

C14H25NO — CID 115757096

IUPAC1-cyclohex-3-en-1-yl-N-[(4-methyloxan-4-yl)methyl]methanamine
SMILESCC1(CNCC2CC=CCC2)CCOCC1
InChIInChI=1S/C14H25NO/c1-14(7-9-16-10-8-14)12-15-11-13-5-3-2-4-6-13/h2-3,13,15H,4-12H2,1H3
InChIKeyGDHMNKRSIAIUQA-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.75
Rot. Bonds4

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

1-cyclohex-3-en-1-yl-N-[(4-methyloxan-4-yl)methyl]methanamine (PubChem CID 115757096) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-N-[(4-methyloxan-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-N-[(4-methyloxan-4-yl)methyl]methanamine
PubChem CID115757096
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-cyclohex-3-en-1-yl-N-[(4-methyloxan-4-yl)methyl]methanamine
SMILESCC1(CNCC2CC=CCC2)CCOCC1
InChIInChI=1S/C14H25NO/c1-14(7-9-16-10-8-14)12-15-11-13-5-3-2-4-6-13/h2-3,13,15H,4-12H2,1H3
InChIKeyGDHMNKRSIAIUQA-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

3-Oxa-8-azaspiro(5.6)dodec-10-ene hydrochloride
CID 137928022
4-[[(1S)-cyclohex-3-en-1-yl]methylamino]-3,3-dimethylbutan-1-ol
CID 97240121
3-Oxa-8-azaspiro[5.6]dodec-10-ene
CID 137928023
2-(Cyclohex-3-en-1-yl)morpholine
CID 67609598
N-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine
CID 71069597
3-ethyl-2-(2-methoxyethyl)-N-methylhex-4-en-1-amine
CID 89972892
1-[Cyclohex-3-en-1-yl(methoxy)methyl]piperazine
CID 135135364
(3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine;ethane
CID 143093704
1-(4-cyclohexa-1,5-dien-1-yloxan-4-yl)-N-methylmethanamine
CID 143143722
4-Methyl-4-(2,3,6,7-tetrahydrooxepin-4-yl)piperidine
CID 143979494
4-(Cyclohexa-1,5-dien-1-ylmethyl)-4-(methoxymethyl)piperidine
CID 145601329
N-(oxan-4-ylmethyl)hex-5-en-1-amine
CID 170016283

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-N-[(4-methyloxan-4-yl)methyl]methanamine?
The IUPAC name of 1-cyclohex-3-en-1-yl-N-[(4-methyloxan-4-yl)methyl]methanamine (CID 115757096) is 1-cyclohex-3-en-1-yl-N-[(4-methyloxan-4-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-N-[(4-methyloxan-4-yl)methyl]methanamine?
The canonical SMILES for 1-cyclohex-3-en-1-yl-N-[(4-methyloxan-4-yl)methyl]methanamine is CC1(CNCC2CC=CCC2)CCOCC1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-N-[(4-methyloxan-4-yl)methyl]methanamine?
The InChIKey is GDHMNKRSIAIUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-14(7-9-16-10-8-14)12-15-11-13-5-3-2-4-6-13/h2-3,13,15H,4-12H2,1H3.
What are the key properties of 1-cyclohex-3-en-1-yl-N-[(4-methyloxan-4-yl)methyl]methanamine?
1-cyclohex-3-en-1-yl-N-[(4-methyloxan-4-yl)methyl]methanamine has a molecular weight of 223.36 g/mol, XLogP of 2.75, 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-[(4-methyloxan-4-yl)methyl]methanamine is sourced from PubChem (CID 115757096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).