N-(3-methylcyclohex-2-en-1-yl)oxan-4-amine

C12H21NO — CID 177317433

IUPACN-(3-methylcyclohex-2-en-1-yl)oxan-4-amine
SMILESCC1=CC(NC2CCOCC2)CCC1
InChIInChI=1S/C12H21NO/c1-10-3-2-4-12(9-10)13-11-5-7-14-8-6-11/h9,11-13H,2-8H2,1H3
InChIKeyQIJZTEPAMQCGQD-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.25
Rot. Bonds2

About N-(3-methylcyclohex-2-en-1-yl)oxan-4-amine

N-(3-methylcyclohex-2-en-1-yl)oxan-4-amine (PubChem CID 177317433) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(3-methylcyclohex-2-en-1-yl)oxan-4-amine.

Molecular Properties

Compound NameN-(3-methylcyclohex-2-en-1-yl)oxan-4-amine
PubChem CID177317433
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-(3-methylcyclohex-2-en-1-yl)oxan-4-amine
SMILESCC1=CC(NC2CCOCC2)CCC1
InChIInChI=1S/C12H21NO/c1-10-3-2-4-12(9-10)13-11-5-7-14-8-6-11/h9,11-13H,2-8H2,1H3
InChIKeyQIJZTEPAMQCGQD-UHFFFAOYSA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.25
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

2,5-difluoro-N-[3-(4-methylcyclohex-3-en-1-yl)oxypropyl]cyclohexan-1-amine
CID 69627006
N-(6-fluoro-4-methylcyclohexa-2,4-dien-1-yl)oxan-4-amine
CID 167114462
1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine
CID 103207504
1-(cyclohexen-1-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207505
1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 103207506
1-(cyclohexen-1-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207507
3-Pentoxy-8-azabicyclo[3.2.1]oct-6-ene
CID 69091731
N-(3-methoxypropyl)cyclohex-2-en-1-amine
CID 107906534
N-(1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)oxan-4-amine
CID 123418391
4-(3-Methoxy-3-piperidin-1-ylpropyl)-1,2,3,6-tetrahydropyridine
CID 141885124
N-(4-tert-butylcyclohex-3-en-1-yl)oxan-4-amine
CID 177265475
N-(3-tert-butylcyclohex-2-en-1-yl)oxan-4-amine
CID 177265635

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohex-2-en-1-yl)oxan-4-amine?
The IUPAC name of N-(3-methylcyclohex-2-en-1-yl)oxan-4-amine (CID 177317433) is N-(3-methylcyclohex-2-en-1-yl)oxan-4-amine.
What is the SMILES notation for N-(3-methylcyclohex-2-en-1-yl)oxan-4-amine?
The canonical SMILES for N-(3-methylcyclohex-2-en-1-yl)oxan-4-amine is CC1=CC(NC2CCOCC2)CCC1.
What is the InChIKey of N-(3-methylcyclohex-2-en-1-yl)oxan-4-amine?
The InChIKey is QIJZTEPAMQCGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10-3-2-4-12(9-10)13-11-5-7-14-8-6-11/h9,11-13H,2-8H2,1H3.
What are the key properties of N-(3-methylcyclohex-2-en-1-yl)oxan-4-amine?
N-(3-methylcyclohex-2-en-1-yl)oxan-4-amine has a molecular weight of 195.31 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohex-2-en-1-yl)oxan-4-amine is sourced from PubChem (CID 177317433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).