N-(oxan-4-ylmethyl)cyclohex-2-en-1-amine

C12H21NO — CID 115693417

IUPACN-(oxan-4-ylmethyl)cyclohex-2-en-1-amine
SMILESC1=CC(NCC2CCOCC2)CCC1
InChIInChI=1S/C12H21NO/c1-2-4-12(5-3-1)13-10-11-6-8-14-9-7-11/h2,4,11-13H,1,3,5-10H2
InChIKeyQGJQDKCZGMCUIX-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.11
Rot. Bonds3

About N-(oxan-4-ylmethyl)cyclohex-2-en-1-amine

N-(oxan-4-ylmethyl)cyclohex-2-en-1-amine (PubChem CID 115693417) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)cyclohex-2-en-1-amine
PubChem CID115693417
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-(oxan-4-ylmethyl)cyclohex-2-en-1-amine
SMILESC1=CC(NCC2CCOCC2)CCC1
InChIInChI=1S/C12H21NO/c1-2-4-12(5-3-1)13-10-11-6-8-14-9-7-11/h2,4,11-13H,1,3,5-10H2
InChIKeyQGJQDKCZGMCUIX-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.11
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
CID 137928023
N-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine
CID 71069597
2-(Oxan-4-yl)-1,2-dihydropyridin-5-amine
CID 89877304
11-Methyl-8-oxa-1-azaspiro[5.5]undec-3-ene
CID 122597274
(6S,11S)-11-ethyl-8-oxa-1-azaspiro[5.5]undec-3-ene
CID 122597378
N-[(3-methyl-2-prop-1-enylcyclopropen-1-yl)methyl]oxan-3-amine
CID 123642066
4-methyl-N-[4-(oxan-4-ylidene)butyl]hexan-2-amine
CID 123759937
1-(2-methylpropyl)-1-N-(oxan-4-yl)cyclohexa-3,5-diene-1,2-diamine
CID 150689047
(E)-N-(oxan-4-ylmethyl)oct-3-en-4-amine
CID 156288617
N-(oxan-4-ylmethyl)hex-5-en-1-amine
CID 170016283
2-(Oxolan-3-yl)-1,2,3,6-tetrahydropyridine
CID 173551440
N-(3-methylcyclohex-2-en-1-yl)oxan-4-amine
CID 177317433

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)cyclohex-2-en-1-amine?
The IUPAC name of N-(oxan-4-ylmethyl)cyclohex-2-en-1-amine (CID 115693417) is N-(oxan-4-ylmethyl)cyclohex-2-en-1-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)cyclohex-2-en-1-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)cyclohex-2-en-1-amine is C1=CC(NCC2CCOCC2)CCC1.
What is the InChIKey of N-(oxan-4-ylmethyl)cyclohex-2-en-1-amine?
The InChIKey is QGJQDKCZGMCUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-4-12(5-3-1)13-10-11-6-8-14-9-7-11/h2,4,11-13H,1,3,5-10H2.
What are the key properties of N-(oxan-4-ylmethyl)cyclohex-2-en-1-amine?
N-(oxan-4-ylmethyl)cyclohex-2-en-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 115693417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).