2-(cyclohexen-1-yl)-N-(oxan-4-ylmethyl)ethanamine

C14H25NO — CID 62387139

IUPAC2-(cyclohexen-1-yl)-N-(oxan-4-ylmethyl)ethanamine
SMILESC1=C(CCNCC2CCOCC2)CCCC1
InChIInChI=1S/C14H25NO/c1-2-4-13(5-3-1)6-9-15-12-14-7-10-16-11-8-14/h4,14-15H,1-3,5-12H2
InChIKeyXEYUYKQHOHENOJ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.89
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-(oxan-4-ylmethyl)ethanamine

2-(cyclohexen-1-yl)-N-(oxan-4-ylmethyl)ethanamine (PubChem CID 62387139) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(oxan-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(oxan-4-ylmethyl)ethanamine
PubChem CID62387139
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-(cyclohexen-1-yl)-N-(oxan-4-ylmethyl)ethanamine
SMILESC1=C(CCNCC2CCOCC2)CCCC1
InChIInChI=1S/C14H25NO/c1-2-4-13(5-3-1)6-9-15-12-14-7-10-16-11-8-14/h4,14-15H,1-3,5-12H2
InChIKeyXEYUYKQHOHENOJ-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopenten-1-yl)-N-(cyclopentylmethyl)ethanamine
CID 115908602
N-(cyclohexylmethyl)-2-(cyclopenten-1-yl)ethanamine
CID 115762872
N-[2-(cyclohexen-1-yl)ethyl]oxolan-3-amine
CID 63331729
N-(cyclohex-3-en-1-ylmethyl)-2-(cyclopenten-1-yl)ethanamine
CID 115762884
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] oxane-4-carboxylate
CID 55374912
2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 55066017
1-[2-(cyclopenten-1-yl)ethyl]-3-(oxan-4-yl)urea
CID 127648179
3-[2-(cyclohexen-1-yl)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109383952
1-(cyclobutylmethyl)-3-[2-(cyclohexen-1-yl)ethyl]-2-methylguanidine
CID 119130796
N-[2-(cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide
CID 848109
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-cyclopentylacetate
CID 55313986
tert-butyl 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 106636503

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-(oxan-4-ylmethyl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(oxan-4-ylmethyl)ethanamine (CID 62387139) is 2-(cyclohexen-1-yl)-N-(oxan-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(oxan-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(oxan-4-ylmethyl)ethanamine is C1=C(CCNCC2CCOCC2)CCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(oxan-4-ylmethyl)ethanamine?
The InChIKey is XEYUYKQHOHENOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-4-13(5-3-1)6-9-15-12-14-7-10-16-11-8-14/h4,14-15H,1-3,5-12H2.
What are the key properties of 2-(cyclohexen-1-yl)-N-(oxan-4-ylmethyl)ethanamine?
2-(cyclohexen-1-yl)-N-(oxan-4-ylmethyl)ethanamine has a molecular weight of 223.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(oxan-4-ylmethyl)ethanamine is sourced from PubChem (CID 62387139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).