N-(5-chloropentyl)-3-methylpyridin-4-amine

C11H17ClN2 — CID 107320518

IUPACN-(5-chloropentyl)-3-methylpyridin-4-amine
SMILESCc1cnccc1NCCCCCCl
InChIInChI=1S/C11H17ClN2/c1-10-9-13-8-5-11(10)14-7-4-2-3-6-12/h5,8-9H,2-4,6-7H2,1H3,(H,13,14)
InChIKeyRPTOCFAAUYOQLW-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.21
Rot. Bonds6

About N-(5-chloropentyl)-3-methylpyridin-4-amine

N-(5-chloropentyl)-3-methylpyridin-4-amine (PubChem CID 107320518) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is N-(5-chloropentyl)-3-methylpyridin-4-amine.

Molecular Properties

Compound NameN-(5-chloropentyl)-3-methylpyridin-4-amine
PubChem CID107320518
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC NameN-(5-chloropentyl)-3-methylpyridin-4-amine
SMILESCc1cnccc1NCCCCCCl
InChIInChI=1S/C11H17ClN2/c1-10-9-13-8-5-11(10)14-7-4-2-3-6-12/h5,8-9H,2-4,6-7H2,1H3,(H,13,14)
InChIKeyRPTOCFAAUYOQLW-UHFFFAOYSA-N
XLogP3.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(6-chlorohexyl)pyridin-4-amine
CID 107846107
3-methyl-N-(7-methyloctyl)pyridin-4-amine
CID 107816087
N-(4-chloro-2,2-dimethylbutyl)-3-methylpyridin-4-amine
CID 106141575
N-(2-chloropropyl)-3-methylpyridin-4-amine
CID 65027865
3-methyl-N-(2-propan-2-yloxyethyl)pyridin-4-amine
CID 104762427
N-(4-chlorobutyl)pyridin-4-amine
CID 106845129
2-chloro-N-(3-methyl-4-pyridinyl)acetamide
CID 63669851
N-(2,2-dimethylbutyl)-3-methylpyridin-4-amine
CID 103462384
N'-(4-methyl-3-pyridinyl)propane-1,3-diamine
CID 66273701
N-(5-chloropentyl)quinolin-4-amine
CID 107320544
3-methyl-N-(2,3,3-trimethylbutyl)pyridin-4-amine
CID 83144536
2,2-dimethyl-3-[(3-methyl-4-pyridinyl)amino]propan-1-ol
CID 115360857

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-3-methylpyridin-4-amine?
The IUPAC name of N-(5-chloropentyl)-3-methylpyridin-4-amine (CID 107320518) is N-(5-chloropentyl)-3-methylpyridin-4-amine.
What is the SMILES notation for N-(5-chloropentyl)-3-methylpyridin-4-amine?
The canonical SMILES for N-(5-chloropentyl)-3-methylpyridin-4-amine is Cc1cnccc1NCCCCCCl.
What is the InChIKey of N-(5-chloropentyl)-3-methylpyridin-4-amine?
The InChIKey is RPTOCFAAUYOQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-10-9-13-8-5-11(10)14-7-4-2-3-6-12/h5,8-9H,2-4,6-7H2,1H3,(H,13,14).
What are the key properties of N-(5-chloropentyl)-3-methylpyridin-4-amine?
N-(5-chloropentyl)-3-methylpyridin-4-amine has a molecular weight of 212.72 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-3-methylpyridin-4-amine is sourced from PubChem (CID 107320518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).