N-(4-chlorobutyl)-5-methylpyridin-2-amine

C10H15ClN2 — CID 106845125

IUPACN-(4-chlorobutyl)-5-methylpyridin-2-amine
SMILESCc1ccc(NCCCCCl)nc1
InChIInChI=1S/C10H15ClN2/c1-9-4-5-10(13-8-9)12-7-3-2-6-11/h4-5,8H,2-3,6-7H2,1H3,(H,12,13)
InChIKeyQARVYYKQPDARSH-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.82
Rot. Bonds5

About N-(4-chlorobutyl)-5-methylpyridin-2-amine

N-(4-chlorobutyl)-5-methylpyridin-2-amine (PubChem CID 106845125) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is N-(4-chlorobutyl)-5-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(4-chlorobutyl)-5-methylpyridin-2-amine
PubChem CID106845125
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC NameN-(4-chlorobutyl)-5-methylpyridin-2-amine
SMILESCc1ccc(NCCCCCl)nc1
InChIInChI=1S/C10H15ClN2/c1-9-4-5-10(13-8-9)12-7-3-2-6-11/h4-5,8H,2-3,6-7H2,1H3,(H,12,13)
InChIKeyQARVYYKQPDARSH-UHFFFAOYSA-N
XLogP2.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.82
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

N-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine
CID 143011658
N-(4-chloropentyl)-5-methylpyridin-2-amine
CID 106124548
N-(6-chlorohexyl)-5-methoxypyridin-2-amine
CID 107846199
N-(3-ethoxypropyl)-5-methylpyridin-2-amine
CID 29271693
5-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 54931107
methyl 6-[(5-methyl-2-pyridinyl)amino]hexanoate
CID 62006414
N-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 106845031
N-(5-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 62664659
N-(4-chlorobutyl)-4-methylpyridin-2-amine
CID 106845034
N'-(5-methyl-2-pyridinyl)methanediamine
CID 137383083
4-[(5-methyl-2-pyridinyl)amino]butan-2-ol
CID 64911264
N',N'-dimethyl-N-(5-methyl-2-pyridinyl)ethane-1,2-diamine;molecular hydrogen
CID 145001272

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobutyl)-5-methylpyridin-2-amine?
The IUPAC name of N-(4-chlorobutyl)-5-methylpyridin-2-amine (CID 106845125) is N-(4-chlorobutyl)-5-methylpyridin-2-amine.
What is the SMILES notation for N-(4-chlorobutyl)-5-methylpyridin-2-amine?
The canonical SMILES for N-(4-chlorobutyl)-5-methylpyridin-2-amine is Cc1ccc(NCCCCCl)nc1.
What is the InChIKey of N-(4-chlorobutyl)-5-methylpyridin-2-amine?
The InChIKey is QARVYYKQPDARSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-9-4-5-10(13-8-9)12-7-3-2-6-11/h4-5,8H,2-3,6-7H2,1H3,(H,12,13).
What are the key properties of N-(4-chlorobutyl)-5-methylpyridin-2-amine?
N-(4-chlorobutyl)-5-methylpyridin-2-amine has a molecular weight of 198.70 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobutyl)-5-methylpyridin-2-amine is sourced from PubChem (CID 106845125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).