6-bicyclo[3.1.0]hexanyl-(5-ethoxy-3-pyridinyl)methanamine

C14H20N2O — CID 105026358

IUPAC6-bicyclo[3.1.0]hexanyl-(5-ethoxy-3-pyridinyl)methanamine
SMILESCCOc1cncc(C(N)C2C3CCCC32)c1
InChIInChI=1S/C14H20N2O/c1-2-17-10-6-9(7-16-8-10)14(15)13-11-4-3-5-12(11)13/h6-8,11-14H,2-5,15H2,1H3
InChIKeyDXUVHBKZHVAVPE-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.53
Rot. Bonds4

About 6-bicyclo[3.1.0]hexanyl-(5-ethoxy-3-pyridinyl)methanamine

6-bicyclo[3.1.0]hexanyl-(5-ethoxy-3-pyridinyl)methanamine (PubChem CID 105026358) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl-(5-ethoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl-(5-ethoxy-3-pyridinyl)methanamine
PubChem CID105026358
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name6-bicyclo[3.1.0]hexanyl-(5-ethoxy-3-pyridinyl)methanamine
SMILESCCOc1cncc(C(N)C2C3CCCC32)c1
InChIInChI=1S/C14H20N2O/c1-2-17-10-6-9(7-16-8-10)14(15)13-11-4-3-5-12(11)13/h6-8,11-14H,2-5,15H2,1H3
InChIKeyDXUVHBKZHVAVPE-UHFFFAOYSA-N
XLogP2.53
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-1-(5-ethoxy-3-pyridinyl)ethanol
CID 103170200
N-[(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107190527
tert-butyl 3-[amino-(5-ethoxy-3-pyridinyl)methyl]pyrrolidine-1-carboxylate
CID 107092643
2-(5-ethoxy-3-pyridinyl)-3-methylbutan-1-amine
CID 83884024
(5-propoxy-3-pyridinyl)-(thiolan-3-yl)methanamine
CID 105175729
1-(5-ethoxy-3-pyridinyl)-2-phenylbutan-1-amine
CID 105026478
(5-ethoxy-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanamine
CID 105175526
(2,5-dimethylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026374
[(5-ethoxy-3-pyridinyl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105330016
(R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171205660
1-(5-ethoxy-3-pyridinyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 105026304
(5-ethoxy-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine
CID 105026593

Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl-(5-ethoxy-3-pyridinyl)methanamine?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl-(5-ethoxy-3-pyridinyl)methanamine (CID 105026358) is 6-bicyclo[3.1.0]hexanyl-(5-ethoxy-3-pyridinyl)methanamine.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl-(5-ethoxy-3-pyridinyl)methanamine?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl-(5-ethoxy-3-pyridinyl)methanamine is CCOc1cncc(C(N)C2C3CCCC32)c1.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl-(5-ethoxy-3-pyridinyl)methanamine?
The InChIKey is DXUVHBKZHVAVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-17-10-6-9(7-16-8-10)14(15)13-11-4-3-5-12(11)13/h6-8,11-14H,2-5,15H2,1H3.
What are the key properties of 6-bicyclo[3.1.0]hexanyl-(5-ethoxy-3-pyridinyl)methanamine?
6-bicyclo[3.1.0]hexanyl-(5-ethoxy-3-pyridinyl)methanamine has a molecular weight of 232.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl-(5-ethoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 105026358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).