N-[7-bicyclo[4.1.0]heptanyl(pyridin-3-yl)methyl]ethanamine

C15H22N2 — CID 115798984

IUPACN-[7-bicyclo[4.1.0]heptanyl(pyridin-3-yl)methyl]ethanamine
SMILESCCNC(c1cccnc1)C1C2CCCCC21
InChIInChI=1S/C15H22N2/c1-2-17-15(11-6-5-9-16-10-11)14-12-7-3-4-8-13(12)14/h5-6,9-10,12-15,17H,2-4,7-8H2,1H3
InChIKeyYGMBCXIURALWDF-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.17
Rot. Bonds4

About N-[7-bicyclo[4.1.0]heptanyl(pyridin-3-yl)methyl]ethanamine

N-[7-bicyclo[4.1.0]heptanyl(pyridin-3-yl)methyl]ethanamine (PubChem CID 115798984) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-[7-bicyclo[4.1.0]heptanyl(pyridin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[7-bicyclo[4.1.0]heptanyl(pyridin-3-yl)methyl]ethanamine
PubChem CID115798984
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN-[7-bicyclo[4.1.0]heptanyl(pyridin-3-yl)methyl]ethanamine
SMILESCCNC(c1cccnc1)C1C2CCCCC21
InChIInChI=1S/C15H22N2/c1-2-17-15(11-6-5-9-16-10-11)14-12-7-3-4-8-13(12)14/h5-6,9-10,12-15,17H,2-4,7-8H2,1H3
InChIKeyYGMBCXIURALWDF-UHFFFAOYSA-N
XLogP3.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[6-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine
CID 115799612
N-[cyclopropyl(pyridin-3-yl)methyl]ethanamine
CID 60923514
N-[(4,4-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine
CID 65392039
N-[7-bicyclo[4.1.0]heptanyl-(3-methylphenyl)methyl]ethanamine
CID 115789774
N-[3-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine
CID 115799190
N-[pyridin-3-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 115799740
N-[7-bicyclo[4.1.0]heptanyl-(3-chlorophenyl)methyl]ethanamine
CID 115811298
N-[(3,5-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine
CID 64731500
N-[pyridin-3-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]ethanamine
CID 105098691
N-[pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105098515
1-cyclohexyl-N-methyl-1-pyridin-3-ylmethanamine
CID 60817955
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-[7-bicyclo[4.1.0]heptanyl(pyridin-3-yl)methyl]ethanamine?
The IUPAC name of N-[7-bicyclo[4.1.0]heptanyl(pyridin-3-yl)methyl]ethanamine (CID 115798984) is N-[7-bicyclo[4.1.0]heptanyl(pyridin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[7-bicyclo[4.1.0]heptanyl(pyridin-3-yl)methyl]ethanamine?
The canonical SMILES for N-[7-bicyclo[4.1.0]heptanyl(pyridin-3-yl)methyl]ethanamine is CCNC(c1cccnc1)C1C2CCCCC21.
What is the InChIKey of N-[7-bicyclo[4.1.0]heptanyl(pyridin-3-yl)methyl]ethanamine?
The InChIKey is YGMBCXIURALWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-17-15(11-6-5-9-16-10-11)14-12-7-3-4-8-13(12)14/h5-6,9-10,12-15,17H,2-4,7-8H2,1H3.
What are the key properties of N-[7-bicyclo[4.1.0]heptanyl(pyridin-3-yl)methyl]ethanamine?
N-[7-bicyclo[4.1.0]heptanyl(pyridin-3-yl)methyl]ethanamine has a molecular weight of 230.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-bicyclo[4.1.0]heptanyl(pyridin-3-yl)methyl]ethanamine is sourced from PubChem (CID 115798984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).