N-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-2-yl)ethanamine

C14H25NO — CID 65163313

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-2-yl)ethanamine
SMILESC1=C(CCNCCC2CCCO2)CCCC1
InChIInChI=1S/C14H25NO/c1-2-5-13(6-3-1)8-10-15-11-9-14-7-4-12-16-14/h5,14-15H,1-4,6-12H2
InChIKeyBVGCPSDJXJAQIU-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.04
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-2-yl)ethanamine

N-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-2-yl)ethanamine (PubChem CID 65163313) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-2-yl)ethanamine
PubChem CID65163313
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-2-yl)ethanamine
SMILESC1=C(CCNCCC2CCCO2)CCCC1
InChIInChI=1S/C14H25NO/c1-2-5-13(6-3-1)8-10-15-11-9-14-7-4-12-16-14/h5,14-15H,1-4,6-12H2
InChIKeyBVGCPSDJXJAQIU-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.04
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-2-yl)ethanamine (CID 65163313) is N-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-2-yl)ethanamine is C1=C(CCNCCC2CCCO2)CCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-2-yl)ethanamine?
The InChIKey is BVGCPSDJXJAQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-5-13(6-3-1)8-10-15-11-9-14-7-4-12-16-14/h5,14-15H,1-4,6-12H2.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-2-yl)ethanamine?
N-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-2-yl)ethanamine has a molecular weight of 223.36 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 65163313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).