3-[amino(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]-4-methylpyridin-2-amine

C15H17N3 — CID 64983989

IUPAC3-[amino(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]-4-methylpyridin-2-amine
SMILESCc1ccnc(N)c1C(N)C1Cc2ccccc21
InChIInChI=1S/C15H17N3/c1-9-6-7-18-15(17)13(9)14(16)12-8-10-4-2-3-5-11(10)12/h2-7,12,14H,8,16H2,1H3,(H2,17,18)
InChIKeyLWTPGPVONBUBTN-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.31
Rot. Bonds2

About 3-[amino(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]-4-methylpyridin-2-amine

3-[amino(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]-4-methylpyridin-2-amine (PubChem CID 64983989) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[amino(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[amino(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]-4-methylpyridin-2-amine
PubChem CID64983989
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name3-[amino(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]-4-methylpyridin-2-amine
SMILESCc1ccnc(N)c1C(N)C1Cc2ccccc21
InChIInChI=1S/C15H17N3/c1-9-6-7-18-15(17)13(9)14(16)12-8-10-4-2-3-5-11(10)12/h2-7,12,14H,8,16H2,1H3,(H2,17,18)
InChIKeyLWTPGPVONBUBTN-UHFFFAOYSA-N
XLogP2.31
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[amino(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]-4-methylpyridin-2-amine with MolForge

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Related Compounds

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 82822545
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methanamine
CID 64984280
3-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(hydrazinyl)methyl]pyridin-2-amine
CID 105224736
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methyl-3-pyridinyl)methanol
CID 66272474
7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-6-yl)methanamine
CID 81228640
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methoxyphenyl)methanamine
CID 64984334
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 66271868
3-[amino-(4-ethylmorpholin-2-yl)methyl]-4-methylpyridin-2-amine
CID 79666192
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dichlorothiophen-3-yl)methanamine
CID 66395525
1-(2-amino-4-methyl-3-pyridinyl)-2-cyclopropylethane-1,2-diol
CID 103456736
(2-amino-4-methyl-3-pyridinyl)-(2-aminophenyl)methanol
CID 64832179
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-propoxyphenyl)methanamine
CID 64984292

Frequently Asked Questions

What is the IUPAC name of 3-[amino(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]-4-methylpyridin-2-amine?
The IUPAC name of 3-[amino(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]-4-methylpyridin-2-amine (CID 64983989) is 3-[amino(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 3-[amino(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]-4-methylpyridin-2-amine?
The canonical SMILES for 3-[amino(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]-4-methylpyridin-2-amine is Cc1ccnc(N)c1C(N)C1Cc2ccccc21.
What is the InChIKey of 3-[amino(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]-4-methylpyridin-2-amine?
The InChIKey is LWTPGPVONBUBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-9-6-7-18-15(17)13(9)14(16)12-8-10-4-2-3-5-11(10)12/h2-7,12,14H,8,16H2,1H3,(H2,17,18).
What are the key properties of 3-[amino(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]-4-methylpyridin-2-amine?
3-[amino(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]-4-methylpyridin-2-amine has a molecular weight of 239.32 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 64983989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).