(3-cyclohex-2-en-1-yloxan-3-yl)methanamine

C12H21NO — CID 130514951

IUPAC(3-cyclohex-2-en-1-yloxan-3-yl)methanamine
SMILESNCC1(C2C=CCCC2)CCCOC1
InChIInChI=1S/C12H21NO/c13-9-12(7-4-8-14-10-12)11-5-2-1-3-6-11/h2,5,11H,1,3-4,6-10,13H2
InChIKeyRHLWKEUEVURALY-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.10
Rot. Bonds2

About (3-cyclohex-2-en-1-yloxan-3-yl)methanamine

(3-cyclohex-2-en-1-yloxan-3-yl)methanamine (PubChem CID 130514951) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (3-cyclohex-2-en-1-yloxan-3-yl)methanamine.

Molecular Properties

Compound Name(3-cyclohex-2-en-1-yloxan-3-yl)methanamine
PubChem CID130514951
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(3-cyclohex-2-en-1-yloxan-3-yl)methanamine
SMILESNCC1(C2C=CCCC2)CCCOC1
InChIInChI=1S/C12H21NO/c13-9-12(7-4-8-14-10-12)11-5-2-1-3-6-11/h2,5,11H,1,3-4,6-10,13H2
InChIKeyRHLWKEUEVURALY-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 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 ≤ 52.10
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-[4-(4-Fluoro-4-methylcyclohex-2-en-1-yl)-2,2-dimethyloxan-4-yl]ethanamine
CID 163757290
(2-Cyclohex-3-en-1-yloxan-3-yl)methanamine
CID 79367943
[2-(3,5-Dimethylcyclohex-3-en-1-yl)oxan-3-yl]methanamine
CID 103277815
2-(Cyclohexen-1-yl)-1-(oxan-3-yl)ethanamine
CID 107136848
[2-(Cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methanamine
CID 113549580
[4-(Cyclohexen-1-yl)oxan-4-yl]methanamine
CID 116659366
(3-Cyclohex-2-en-1-yloxolan-3-yl)methanamine
CID 130514925
[3-[(E)-but-2-enyl]oxan-3-yl]methanamine
CID 130514959
(3-But-3-en-2-yloxan-3-yl)methanamine
CID 130514960
[3-(Cyclopenten-1-ylmethyl)oxan-3-yl]methanamine
CID 131172223

Frequently Asked Questions

What is the IUPAC name of (3-cyclohex-2-en-1-yloxan-3-yl)methanamine?
The IUPAC name of (3-cyclohex-2-en-1-yloxan-3-yl)methanamine (CID 130514951) is (3-cyclohex-2-en-1-yloxan-3-yl)methanamine.
What is the SMILES notation for (3-cyclohex-2-en-1-yloxan-3-yl)methanamine?
The canonical SMILES for (3-cyclohex-2-en-1-yloxan-3-yl)methanamine is NCC1(C2C=CCCC2)CCCOC1.
What is the InChIKey of (3-cyclohex-2-en-1-yloxan-3-yl)methanamine?
The InChIKey is RHLWKEUEVURALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c13-9-12(7-4-8-14-10-12)11-5-2-1-3-6-11/h2,5,11H,1,3-4,6-10,13H2.
What are the key properties of (3-cyclohex-2-en-1-yloxan-3-yl)methanamine?
(3-cyclohex-2-en-1-yloxan-3-yl)methanamine has a molecular weight of 195.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohex-2-en-1-yloxan-3-yl)methanamine is sourced from PubChem (CID 130514951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).