2-(4-bicyclo[6.2.0]decanyl)-N-ethylethanamine

C14H27N — CID 138751667

IUPAC2-(4-bicyclo[6.2.0]decanyl)-N-ethylethanamine
SMILESCCNCCC1CCCC2CCC2CC1
InChIInChI=1S/C14H27N/c1-2-15-11-10-12-4-3-5-13-8-9-14(13)7-6-12/h12-15H,2-11H2,1H3
InChIKeyPGQOCCMUYKQIHX-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.59
Rot. Bonds4

About 2-(4-bicyclo[6.2.0]decanyl)-N-ethylethanamine

2-(4-bicyclo[6.2.0]decanyl)-N-ethylethanamine (PubChem CID 138751667) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 2-(4-bicyclo[6.2.0]decanyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-bicyclo[6.2.0]decanyl)-N-ethylethanamine
PubChem CID138751667
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name2-(4-bicyclo[6.2.0]decanyl)-N-ethylethanamine
SMILESCCNCCC1CCCC2CCC2CC1
InChIInChI=1S/C14H27N/c1-2-15-11-10-12-4-3-5-13-8-9-14(13)7-6-12/h12-15H,2-11H2,1H3
InChIKeyPGQOCCMUYKQIHX-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-N-ethylethanamine;hydrochloride
CID 3028141
ethane;N-ethyl-2-[(1S)-3-methylcyclohexyl]ethanamine
CID 145095472
N-ethyl-2-[4-(methoxymethyl)cyclohexyl]ethanamine
CID 163663067
N-ethyl-2-[(3S)-piperidin-3-yl]ethanamine
CID 94540790
N-ethyl-2-(oxan-3-yl)ethanamine
CID 64866831
cis-(1S,3R)-1-butyl-3-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexane
CID 18640233
N-(2-cyclobutylethyl)-4-(ethylamino)butane-1-sulfonamide
CID 113479488
N-(cyclobutylmethyl)-2-cyclohexylethanamine
CID 65457561
1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane
CID 146793992
N'-[3-(6-cyclopropylhexylamino)propyl]-N-ethylpropane-1,3-diamine
CID 158860052
trans-(1R,3R)-1-butyl-3-(4-propylcyclohexyl)cyclohexane
CID 18640232
1-cyclohexyl-6-propylcyclodecane
CID 58552139

Frequently Asked Questions

What is the IUPAC name of 2-(4-bicyclo[6.2.0]decanyl)-N-ethylethanamine?
The IUPAC name of 2-(4-bicyclo[6.2.0]decanyl)-N-ethylethanamine (CID 138751667) is 2-(4-bicyclo[6.2.0]decanyl)-N-ethylethanamine.
What is the SMILES notation for 2-(4-bicyclo[6.2.0]decanyl)-N-ethylethanamine?
The canonical SMILES for 2-(4-bicyclo[6.2.0]decanyl)-N-ethylethanamine is CCNCCC1CCCC2CCC2CC1.
What is the InChIKey of 2-(4-bicyclo[6.2.0]decanyl)-N-ethylethanamine?
The InChIKey is PGQOCCMUYKQIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-2-15-11-10-12-4-3-5-13-8-9-14(13)7-6-12/h12-15H,2-11H2,1H3.
What are the key properties of 2-(4-bicyclo[6.2.0]decanyl)-N-ethylethanamine?
2-(4-bicyclo[6.2.0]decanyl)-N-ethylethanamine has a molecular weight of 209.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bicyclo[6.2.0]decanyl)-N-ethylethanamine is sourced from PubChem (CID 138751667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).