N-cyclohex-2-en-1-yl-2-methyloxan-4-amine

C12H21NO — CID 103911366

IUPACN-cyclohex-2-en-1-yl-2-methyloxan-4-amine
SMILESCC1CC(NC2C=CCCC2)CCO1
InChIInChI=1S/C12H21NO/c1-10-9-12(7-8-14-10)13-11-5-3-2-4-6-11/h3,5,10-13H,2,4,6-9H2,1H3
InChIKeyBDMJEYAQSJSTBU-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.25
Rot. Bonds2

About N-cyclohex-2-en-1-yl-2-methyloxan-4-amine

N-cyclohex-2-en-1-yl-2-methyloxan-4-amine (PubChem CID 103911366) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-2-methyloxan-4-amine.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-2-methyloxan-4-amine
PubChem CID103911366
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-cyclohex-2-en-1-yl-2-methyloxan-4-amine
SMILESCC1CC(NC2C=CCCC2)CCO1
InChIInChI=1S/C12H21NO/c1-10-9-12(7-8-14-10)13-11-5-3-2-4-6-11/h3,5,10-13H,2,4,6-9H2,1H3
InChIKeyBDMJEYAQSJSTBU-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

3-Pentoxy-8-azabicyclo[3.2.1]oct-6-ene
CID 69091731
N-(3-methoxypropyl)cyclohex-2-en-1-amine
CID 107906534
1-(6-piperidin-4-yloxyhexyl)-3,6-dihydro-2H-pyridine
CID 141050421
5-methoxy-N-methylcyclohex-2-en-1-amine
CID 144521544
N-methyl-3-propan-2-yloxycyclohex-3-en-1-amine
CID 163703648
ethane;N-(4-methylcyclohex-3-en-1-yl)oxan-4-amine
CID 177317206
N-(3-methylcyclohex-2-en-1-yl)oxan-4-amine
CID 177317433
1-(cyclohexen-1-yl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 63953341
1-(cyclohexen-1-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
CID 63953342
1-(cyclohexen-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 63953343
1-(cyclopenten-1-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
CID 63953545
N-[2-(cyclohexen-1-yl)ethyl]-2-propyloxan-4-amine
CID 64100348

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-yl-2-methyloxan-4-amine?
The IUPAC name of N-cyclohex-2-en-1-yl-2-methyloxan-4-amine (CID 103911366) is N-cyclohex-2-en-1-yl-2-methyloxan-4-amine.
What is the SMILES notation for N-cyclohex-2-en-1-yl-2-methyloxan-4-amine?
The canonical SMILES for N-cyclohex-2-en-1-yl-2-methyloxan-4-amine is CC1CC(NC2C=CCCC2)CCO1.
What is the InChIKey of N-cyclohex-2-en-1-yl-2-methyloxan-4-amine?
The InChIKey is BDMJEYAQSJSTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10-9-12(7-8-14-10)13-11-5-3-2-4-6-11/h3,5,10-13H,2,4,6-9H2,1H3.
What are the key properties of N-cyclohex-2-en-1-yl-2-methyloxan-4-amine?
N-cyclohex-2-en-1-yl-2-methyloxan-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-cyclohex-2-en-1-yl-2-methyloxan-4-amine is sourced from PubChem (CID 103911366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).