3-[cyclooctyl(methylamino)methyl]-5-methylpyridin-2-amine

C16H27N3 — CID 80604124

IUPAC3-[cyclooctyl(methylamino)methyl]-5-methylpyridin-2-amine
SMILESCNC(c1cc(C)cnc1N)C1CCCCCCC1
InChIInChI=1S/C16H27N3/c1-12-10-14(16(17)19-11-12)15(18-2)13-8-6-4-3-5-7-9-13/h10-11,13,15,18H,3-9H2,1-2H3,(H2,17,19)
InChIKeyIYBSVFCMCPKYFX-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.59
Rot. Bonds3

About 3-[cyclooctyl(methylamino)methyl]-5-methylpyridin-2-amine

3-[cyclooctyl(methylamino)methyl]-5-methylpyridin-2-amine (PubChem CID 80604124) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[cyclooctyl(methylamino)methyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[cyclooctyl(methylamino)methyl]-5-methylpyridin-2-amine
PubChem CID80604124
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name3-[cyclooctyl(methylamino)methyl]-5-methylpyridin-2-amine
SMILESCNC(c1cc(C)cnc1N)C1CCCCCCC1
InChIInChI=1S/C16H27N3/c1-12-10-14(16(17)19-11-12)15(18-2)13-8-6-4-3-5-7-9-13/h10-11,13,15,18H,3-9H2,1-2H3,(H2,17,19)
InChIKeyIYBSVFCMCPKYFX-UHFFFAOYSA-N
XLogP3.59
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclooctyl(hydrazinyl)methyl]-5-methylpyridin-2-amine
CID 105255255
3-[cyclooctyl(propylamino)methyl]-5-methylpyridin-2-amine
CID 80610949
1-(2-amino-5-methyl-3-pyridinyl)-2-cyclohexyl-2-ethoxyethanol
CID 116756726
1-cycloheptyl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 82932487
1-cyclohexyl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 63839255
3-[hydrazinyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-5-methylpyridin-2-amine
CID 105265905
3-(1-amino-2-cyclopropylethyl)-5-methylpyridin-2-amine
CID 55295743
5-methyl-3-[2-methyl-1-(methylamino)-2-piperidin-1-ylpropyl]pyridin-2-amine
CID 79044875
[cycloheptyl-(5-methylpyrimidin-2-yl)methyl]hydrazine
CID 105261503
3-(2-cyclopropyl-1-hydrazinyl-2-methoxyethyl)-5-methylpyridin-2-amine
CID 105272937
3-(1-amino-2-cyclopentylsulfanylethyl)-5-methylpyridin-2-amine
CID 65138767
5-methyl-3-[1-(methylamino)-2-(oxolan-3-yl)ethyl]pyridin-2-amine
CID 113362130

Frequently Asked Questions

What is the IUPAC name of 3-[cyclooctyl(methylamino)methyl]-5-methylpyridin-2-amine?
The IUPAC name of 3-[cyclooctyl(methylamino)methyl]-5-methylpyridin-2-amine (CID 80604124) is 3-[cyclooctyl(methylamino)methyl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-[cyclooctyl(methylamino)methyl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-[cyclooctyl(methylamino)methyl]-5-methylpyridin-2-amine is CNC(c1cc(C)cnc1N)C1CCCCCCC1.
What is the InChIKey of 3-[cyclooctyl(methylamino)methyl]-5-methylpyridin-2-amine?
The InChIKey is IYBSVFCMCPKYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12-10-14(16(17)19-11-12)15(18-2)13-8-6-4-3-5-7-9-13/h10-11,13,15,18H,3-9H2,1-2H3,(H2,17,19).
What are the key properties of 3-[cyclooctyl(methylamino)methyl]-5-methylpyridin-2-amine?
3-[cyclooctyl(methylamino)methyl]-5-methylpyridin-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclooctyl(methylamino)methyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 80604124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).