[4-(cyclohexen-1-yl)oxan-4-yl]methanamine

C12H21NO — CID 116659366

IUPAC[4-(cyclohexen-1-yl)oxan-4-yl]methanamine
SMILESNCC1(C2=CCCCC2)CCOCC1
InChIInChI=1S/C12H21NO/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h4H,1-3,5-10,13H2
InChIKeyUIEKJCHAGWABBC-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.24
Rot. Bonds2

About [4-(cyclohexen-1-yl)oxan-4-yl]methanamine

[4-(cyclohexen-1-yl)oxan-4-yl]methanamine (PubChem CID 116659366) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is [4-(cyclohexen-1-yl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(cyclohexen-1-yl)oxan-4-yl]methanamine
PubChem CID116659366
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name[4-(cyclohexen-1-yl)oxan-4-yl]methanamine
SMILESNCC1(C2=CCCCC2)CCOCC1
InChIInChI=1S/C12H21NO/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h4H,1-3,5-10,13H2
InChIKeyUIEKJCHAGWABBC-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
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-(3,5-Diethyl-1-methylcyclohex-2-en-1-yl)-1-ethoxypropan-1-amine
CID 123165644
[4-(Oxan-4-yl)cyclohexa-1,3-dien-1-yl]methanamine
CID 123818058
Methoxy-(3-methyl-3-bicyclo[3.3.1]non-1-enyl)methanamine
CID 155440601
Cyclopenten-1-yl(oxan-4-yl)methanamine
CID 62904964
Cyclohepten-1-yl(oxan-4-yl)methanamine
CID 62905141
Cyclohexen-1-yl(oxan-4-yl)methanamine
CID 62907583
3-(Oxan-4-ylmethyl)cyclohex-2-en-1-amine
CID 65172158
3-(Oxan-4-yl)cyclohex-2-en-1-amine
CID 65172307
3-(3-Methoxypropyl)-5,5-dimethylcyclohex-2-en-1-amine
CID 65176912
5,5-Dimethyl-3-(oxan-4-ylmethyl)cyclohex-2-en-1-amine
CID 65177414
5,5-Dimethyl-3-(oxan-4-yl)cyclohex-2-en-1-amine
CID 65177524
3-(3-Ethoxypropyl)-5,5-dimethylcyclohex-2-en-1-amine
CID 65178070

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexen-1-yl)oxan-4-yl]methanamine?
The IUPAC name of [4-(cyclohexen-1-yl)oxan-4-yl]methanamine (CID 116659366) is [4-(cyclohexen-1-yl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(cyclohexen-1-yl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(cyclohexen-1-yl)oxan-4-yl]methanamine is NCC1(C2=CCCCC2)CCOCC1.
What is the InChIKey of [4-(cyclohexen-1-yl)oxan-4-yl]methanamine?
The InChIKey is UIEKJCHAGWABBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h4H,1-3,5-10,13H2.
What are the key properties of [4-(cyclohexen-1-yl)oxan-4-yl]methanamine?
[4-(cyclohexen-1-yl)oxan-4-yl]methanamine has a molecular weight of 195.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexen-1-yl)oxan-4-yl]methanamine is sourced from PubChem (CID 116659366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).