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

C11H17ClN2 — CID 107205359

IUPACN-(5-chloropentyl)-N-methylpyridin-4-amine
SMILESCN(CCCCCCl)c1ccncc1
InChIInChI=1S/C11H17ClN2/c1-14(10-4-2-3-7-12)11-5-8-13-9-6-11/h5-6,8-9H,2-4,7,10H2,1H3
InChIKeyYDQVPKZCAGZUQS-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.93
Rot. Bonds6

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

N-(5-chloropentyl)-N-methylpyridin-4-amine (PubChem CID 107205359) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is N-(5-chloropentyl)-N-methylpyridin-4-amine.

Molecular Properties

Compound NameN-(5-chloropentyl)-N-methylpyridin-4-amine
PubChem CID107205359
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC NameN-(5-chloropentyl)-N-methylpyridin-4-amine
SMILESCN(CCCCCCl)c1ccncc1
InChIInChI=1S/C11H17ClN2/c1-14(10-4-2-3-7-12)11-5-8-13-9-6-11/h5-6,8-9H,2-4,7,10H2,1H3
InChIKeyYDQVPKZCAGZUQS-UHFFFAOYSA-N
XLogP2.93
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.93
H-Bond Donors ≤ 50
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

N-(5-chloropentyl)-N-methylpyrimidin-4-amine
CID 107205392
N-methyl-N-octyl-4-(2-pyridin-4-ylethenyl)aniline
CID 71341716
3-bromo-N-(5-chloropentyl)-N-methylpyridin-4-amine
CID 107205426
3-[methyl(pyridin-4-yl)amino]propane-1-sulfonic acid
CID 141074185
N-dodecyl-N-methylaniline;pyridine
CID 22157792
3-chloro-N-(5-chloropentyl)-N-methylpyridin-2-amine
CID 107205302
N'-methyl-N'-pyridin-4-ylmethanediamine
CID 115225635
N-(6-chlorohexyl)-3-methoxy-N-methylaniline
CID 62227835
4-[methyl(pyridin-4-yl)amino]butan-2-ol
CID 115745235
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
N-methyl-N-(3-piperazin-1-ylpropyl)pyridin-4-amine
CID 115230518
N-(3-chloropropyl)-N-methyl-3H-benzimidazol-5-amine
CID 115215551

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-N-methylpyridin-4-amine?
The IUPAC name of N-(5-chloropentyl)-N-methylpyridin-4-amine (CID 107205359) is N-(5-chloropentyl)-N-methylpyridin-4-amine.
What is the SMILES notation for N-(5-chloropentyl)-N-methylpyridin-4-amine?
The canonical SMILES for N-(5-chloropentyl)-N-methylpyridin-4-amine is CN(CCCCCCl)c1ccncc1.
What is the InChIKey of N-(5-chloropentyl)-N-methylpyridin-4-amine?
The InChIKey is YDQVPKZCAGZUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-14(10-4-2-3-7-12)11-5-8-13-9-6-11/h5-6,8-9H,2-4,7,10H2,1H3.
What are the key properties of N-(5-chloropentyl)-N-methylpyridin-4-amine?
N-(5-chloropentyl)-N-methylpyridin-4-amine has a molecular weight of 212.72 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-N-methylpyridin-4-amine is sourced from PubChem (CID 107205359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).