6-chloro-N-cyclooctyl-5-methylpyridin-3-amine

C14H21ClN2 — CID 114049267

IUPAC6-chloro-N-cyclooctyl-5-methylpyridin-3-amine
SMILESCc1cc(NC2CCCCCCC2)cnc1Cl
InChIInChI=1S/C14H21ClN2/c1-11-9-13(10-16-14(11)15)17-12-7-5-3-2-4-6-8-12/h9-10,12,17H,2-8H2,1H3
InChIKeyVNKMSDDXYCQXKC-UHFFFAOYSA-N
MW252.79 g/mol
LogP4.57
Rot. Bonds2

About 6-chloro-N-cyclooctyl-5-methylpyridin-3-amine

6-chloro-N-cyclooctyl-5-methylpyridin-3-amine (PubChem CID 114049267) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 6-chloro-N-cyclooctyl-5-methylpyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-cyclooctyl-5-methylpyridin-3-amine
PubChem CID114049267
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name6-chloro-N-cyclooctyl-5-methylpyridin-3-amine
SMILESCc1cc(NC2CCCCCCC2)cnc1Cl
InChIInChI=1S/C14H21ClN2/c1-11-9-13(10-16-14(11)15)17-12-7-5-3-2-4-6-8-12/h9-10,12,17H,2-8H2,1H3
InChIKeyVNKMSDDXYCQXKC-UHFFFAOYSA-N
XLogP4.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-cyclooctyl-5-methylpyridin-3-amine
CID 114050232
N-(6-chloro-5-methyl-3-pyridinyl)cyclohexanesulfonamide
CID 103744873
N-(6-chloro-5-methyl-3-pyridinyl)cyclopentanecarboxamide
CID 103730413
N-(6-chloro-5-methyl-3-pyridinyl)-2-cyclohexylacetamide
CID 103730501
N-(3-chloro-4-methylphenyl)cyclododecanamine
CID 63418759
N-(6-chloro-5-methyl-3-pyridinyl)cyclobutanecarboxamide
CID 103730424
N-cyclohexyl-6-methylpyridin-3-amine
CID 75355981
N-(6-chloro-5-methyl-3-pyridinyl)-3-cyclopentylpropanamide
CID 103730306
6-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-methylpyridin-3-amine
CID 114049295
N-(6-chloro-5-methyl-3-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
CID 146089895
4-N-cyclohexyl-2-methylbenzene-1,4-diamine
CID 43436188
N-(6-chloro-5-methyl-3-pyridinyl)-1,1-dioxothiane-2-carboxamide
CID 104537088

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclooctyl-5-methylpyridin-3-amine?
The IUPAC name of 6-chloro-N-cyclooctyl-5-methylpyridin-3-amine (CID 114049267) is 6-chloro-N-cyclooctyl-5-methylpyridin-3-amine.
What is the SMILES notation for 6-chloro-N-cyclooctyl-5-methylpyridin-3-amine?
The canonical SMILES for 6-chloro-N-cyclooctyl-5-methylpyridin-3-amine is Cc1cc(NC2CCCCCCC2)cnc1Cl.
What is the InChIKey of 6-chloro-N-cyclooctyl-5-methylpyridin-3-amine?
The InChIKey is VNKMSDDXYCQXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11-9-13(10-16-14(11)15)17-12-7-5-3-2-4-6-8-12/h9-10,12,17H,2-8H2,1H3.
What are the key properties of 6-chloro-N-cyclooctyl-5-methylpyridin-3-amine?
6-chloro-N-cyclooctyl-5-methylpyridin-3-amine has a molecular weight of 252.79 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclooctyl-5-methylpyridin-3-amine is sourced from PubChem (CID 114049267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).