3,5-dichloro-N-cyclooctylpyridin-2-amine

C13H18Cl2N2 — CID 28517961

IUPAC3,5-dichloro-N-cyclooctylpyridin-2-amine
SMILESClc1cnc(NC2CCCCCCC2)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2/c14-10-8-12(15)13(16-9-10)17-11-6-4-2-1-3-5-7-11/h8-9,11H,1-7H2,(H,16,17)
InChIKeyPDPDPLYHRKSIED-UHFFFAOYSA-N
MW273.21 g/mol
LogP4.91
Rot. Bonds2

About 3,5-dichloro-N-cyclooctylpyridin-2-amine

3,5-dichloro-N-cyclooctylpyridin-2-amine (PubChem CID 28517961) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 3,5-dichloro-N-cyclooctylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-cyclooctylpyridin-2-amine
PubChem CID28517961
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name3,5-dichloro-N-cyclooctylpyridin-2-amine
SMILESClc1cnc(NC2CCCCCCC2)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2/c14-10-8-12(15)13(16-9-10)17-11-6-4-2-1-3-5-7-11/h8-9,11H,1-7H2,(H,16,17)
InChIKeyPDPDPLYHRKSIED-UHFFFAOYSA-N
XLogP4.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-N-cyclopentylpyridine-2,3-diamine
CID 58171612
N-cycloheptyl-N'-(3,5-dichloro-2-pyridinyl)ethane-1,2-diamine
CID 115306764
3,5-dichloro-N-(1-methylpyrrolidin-3-yl)pyridin-2-amine
CID 61465020
3,5-dichloro-N-(2-methylcyclopentyl)pyridin-2-amine
CID 63281875
5-chloro-N-cyclobutyl-3-fluoropyridin-2-amine
CID 79727841
3,5,6-trichloro-N-cyclopentylpyridin-2-amine
CID 102750169
5-[(3,5-dichloro-2-pyridinyl)amino]-1-methylpiperidin-2-one
CID 64667801
[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270710
3,5-dichloro-N-(2-cyclopentyloxyethyl)pyridin-2-amine
CID 55261073
N-(5-bromo-3-chloro-2-pyridinyl)azepan-4-amine
CID 107173501
2,5-dichloro-N-cyclopentylpyrimidin-4-amine
CID 79633393
2,4,6-trichloro-N-cyclobutylaniline
CID 63425611

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-cyclooctylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-cyclooctylpyridin-2-amine (CID 28517961) is 3,5-dichloro-N-cyclooctylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-cyclooctylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-cyclooctylpyridin-2-amine is Clc1cnc(NC2CCCCCCC2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-cyclooctylpyridin-2-amine?
The InChIKey is PDPDPLYHRKSIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c14-10-8-12(15)13(16-9-10)17-11-6-4-2-1-3-5-7-11/h8-9,11H,1-7H2,(H,16,17).
What are the key properties of 3,5-dichloro-N-cyclooctylpyridin-2-amine?
3,5-dichloro-N-cyclooctylpyridin-2-amine has a molecular weight of 273.21 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-cyclooctylpyridin-2-amine is sourced from PubChem (CID 28517961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).