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

C18H31N3 — CID 80610949

IUPAC3-[cyclooctyl(propylamino)methyl]-5-methylpyridin-2-amine
SMILESCCCNC(c1cc(C)cnc1N)C1CCCCCCC1
InChIInChI=1S/C18H31N3/c1-3-11-20-17(15-9-7-5-4-6-8-10-15)16-12-14(2)13-21-18(16)19/h12-13,15,17,20H,3-11H2,1-2H3,(H2,19,21)
InChIKeyUWUQCUOIQXAKIB-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.37
Rot. Bonds5

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

3-[cyclooctyl(propylamino)methyl]-5-methylpyridin-2-amine (PubChem CID 80610949) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 3-[cyclooctyl(propylamino)methyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[cyclooctyl(propylamino)methyl]-5-methylpyridin-2-amine
PubChem CID80610949
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name3-[cyclooctyl(propylamino)methyl]-5-methylpyridin-2-amine
SMILESCCCNC(c1cc(C)cnc1N)C1CCCCCCC1
InChIInChI=1S/C18H31N3/c1-3-11-20-17(15-9-7-5-4-6-8-10-15)16-12-14(2)13-21-18(16)19/h12-13,15,17,20H,3-11H2,1-2H3,(H2,19,21)
InChIKeyUWUQCUOIQXAKIB-UHFFFAOYSA-N
XLogP4.37
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.37
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(methylamino)methyl]-5-methylpyridin-2-amine
CID 80604124
3-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-5-methylpyridin-2-amine
CID 114016560
3-[2-cyclohexylsulfanyl-1-(propylamino)ethyl]-5-methylpyridin-2-amine
CID 65144255
N-[cyclopentyl-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374362
N-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 65018552
N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 63501845
N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027676
1-(2-amino-5-methyl-3-pyridinyl)-2-cyclohexyl-2-ethoxyethanol
CID 116756726
N-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 63503195
N-[(2-chloro-4,5-dimethylphenyl)-cycloheptylmethyl]propan-1-amine
CID 115484218
3-[2,2-diethoxy-1-(propylamino)ethyl]-5-methylpyridin-2-amine
CID 79495031

Frequently Asked Questions

What is the IUPAC name of 3-[cyclooctyl(propylamino)methyl]-5-methylpyridin-2-amine?
The IUPAC name of 3-[cyclooctyl(propylamino)methyl]-5-methylpyridin-2-amine (CID 80610949) is 3-[cyclooctyl(propylamino)methyl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-[cyclooctyl(propylamino)methyl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-[cyclooctyl(propylamino)methyl]-5-methylpyridin-2-amine is CCCNC(c1cc(C)cnc1N)C1CCCCCCC1.
What is the InChIKey of 3-[cyclooctyl(propylamino)methyl]-5-methylpyridin-2-amine?
The InChIKey is UWUQCUOIQXAKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-3-11-20-17(15-9-7-5-4-6-8-10-15)16-12-14(2)13-21-18(16)19/h12-13,15,17,20H,3-11H2,1-2H3,(H2,19,21).
What are the key properties of 3-[cyclooctyl(propylamino)methyl]-5-methylpyridin-2-amine?
3-[cyclooctyl(propylamino)methyl]-5-methylpyridin-2-amine has a molecular weight of 289.47 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclooctyl(propylamino)methyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 80610949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).