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

C11H19NO — CID 130514925

IUPAC(3-cyclohex-2-en-1-yloxolan-3-yl)methanamine
SMILESNCC1(C2C=CCCC2)CCOC1
InChIInChI=1S/C11H19NO/c12-8-11(6-7-13-9-11)10-4-2-1-3-5-10/h2,4,10H,1,3,5-9,12H2
InChIKeyRMJAFBIDKGWJRU-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.71
Rot. Bonds2

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

(3-cyclohex-2-en-1-yloxolan-3-yl)methanamine (PubChem CID 130514925) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (3-cyclohex-2-en-1-yloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(3-cyclohex-2-en-1-yloxolan-3-yl)methanamine
PubChem CID130514925
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(3-cyclohex-2-en-1-yloxolan-3-yl)methanamine
SMILESNCC1(C2C=CCCC2)CCOC1
InChIInChI=1S/C11H19NO/c12-8-11(6-7-13-9-11)10-4-2-1-3-5-10/h2,4,10H,1,3,5-9,12H2
InChIKeyRMJAFBIDKGWJRU-UHFFFAOYSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.71
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

[5-Cyclohexyl-5-(methoxymethyl)cyclopenta-1,3-dien-1-yl]methanamine
CID 177706793
Cyclohexen-1-yl(oxolan-3-yl)methanamine
CID 62079372
(2-Cyclohex-3-en-1-yloxolan-3-yl)methanamine
CID 79368699
[2-(3,5-Dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methanamine
CID 103277814
[4-(Cyclohexen-1-yl)oxan-4-yl]methanamine
CID 116659366
2-(Cyclohexen-1-yl)-1-(oxolan-3-yl)ethanamine
CID 116661247
(3-Cyclohex-2-en-1-yloxan-3-yl)methanamine
CID 130514951
1-(3-cyclohex-2-en-1-yloxolan-3-yl)-N-methylmethanamine
CID 131142822
[3-(Cyclopenten-1-ylmethyl)oxan-3-yl]methanamine
CID 131172223
2-(Cyclopent-3-en-1-yl)-1-{3-oxabicyclo[3.1.0]hexan-1-yl}ethan-1-amine
CID 164660509

Frequently Asked Questions

What is the IUPAC name of (3-cyclohex-2-en-1-yloxolan-3-yl)methanamine?
The IUPAC name of (3-cyclohex-2-en-1-yloxolan-3-yl)methanamine (CID 130514925) is (3-cyclohex-2-en-1-yloxolan-3-yl)methanamine.
What is the SMILES notation for (3-cyclohex-2-en-1-yloxolan-3-yl)methanamine?
The canonical SMILES for (3-cyclohex-2-en-1-yloxolan-3-yl)methanamine is NCC1(C2C=CCCC2)CCOC1.
What is the InChIKey of (3-cyclohex-2-en-1-yloxolan-3-yl)methanamine?
The InChIKey is RMJAFBIDKGWJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c12-8-11(6-7-13-9-11)10-4-2-1-3-5-10/h2,4,10H,1,3,5-9,12H2.
What are the key properties of (3-cyclohex-2-en-1-yloxolan-3-yl)methanamine?
(3-cyclohex-2-en-1-yloxolan-3-yl)methanamine has a molecular weight of 181.28 g/mol, XLogP of 1.71, 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-yloxolan-3-yl)methanamine is sourced from PubChem (CID 130514925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).