N-[3-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine

C14H20N2 — CID 115799190

IUPACN-[3-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine
SMILESCCNC(c1cccnc1)C1CC2CC2C1
InChIInChI=1S/C14H20N2/c1-2-16-14(10-4-3-5-15-9-10)13-7-11-6-12(11)8-13/h3-5,9,11-14,16H,2,6-8H2,1H3
InChIKeyAAOQTSFDXSYWDC-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.78
Rot. Bonds4

About N-[3-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine

N-[3-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine (PubChem CID 115799190) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-[3-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine
PubChem CID115799190
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-[3-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine
SMILESCCNC(c1cccnc1)C1CC2CC2C1
InChIInChI=1S/C14H20N2/c1-2-16-14(10-4-3-5-15-9-10)13-7-11-6-12(11)8-13/h3-5,9,11-14,16H,2,6-8H2,1H3
InChIKeyAAOQTSFDXSYWDC-UHFFFAOYSA-N
XLogP2.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine
CID 64731500
N-[cyclopropyl(pyridin-3-yl)methyl]ethanamine
CID 60923514
N-[3-bicyclo[3.1.0]hexanyl(pyrimidin-5-yl)methyl]ethanamine
CID 115827057
N-[(4,4-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine
CID 65392039
N-[6-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine
CID 115799612
N-[7-bicyclo[4.1.0]heptanyl(pyridin-3-yl)methyl]ethanamine
CID 115798984
N-[3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methyl]ethanamine
CID 115811418
N-[3-bicyclo[3.1.0]hexanyl-(3-ethoxyphenyl)methyl]ethanamine
CID 105022208
N-[(3-methylcyclopentyl)-pyridin-3-ylmethyl]propan-1-amine
CID 65413186
N-[3-bicyclo[3.1.0]hexanyl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115850632
N-[pyridin-3-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 115799740
N-[(5,6-dimethyl-1,4-dithian-2-yl)-pyridin-3-ylmethyl]ethanamine
CID 103346089

Frequently Asked Questions

What is the IUPAC name of N-[3-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine?
The IUPAC name of N-[3-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine (CID 115799190) is N-[3-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[3-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine?
The canonical SMILES for N-[3-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine is CCNC(c1cccnc1)C1CC2CC2C1.
What is the InChIKey of N-[3-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine?
The InChIKey is AAOQTSFDXSYWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-16-14(10-4-3-5-15-9-10)13-7-11-6-12(11)8-13/h3-5,9,11-14,16H,2,6-8H2,1H3.
What are the key properties of N-[3-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine?
N-[3-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine has a molecular weight of 216.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine is sourced from PubChem (CID 115799190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).