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

C11H17ClN2 — CID 106124548

IUPACN-(4-chloropentyl)-5-methylpyridin-2-amine
SMILESCc1ccc(NCCCC(C)Cl)nc1
InChIInChI=1S/C11H17ClN2/c1-9-5-6-11(14-8-9)13-7-3-4-10(2)12/h5-6,8,10H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyYFBHUULUSNVXAK-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.21
Rot. Bonds5

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

N-(4-chloropentyl)-5-methylpyridin-2-amine (PubChem CID 106124548) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is N-(4-chloropentyl)-5-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(4-chloropentyl)-5-methylpyridin-2-amine
PubChem CID106124548
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC NameN-(4-chloropentyl)-5-methylpyridin-2-amine
SMILESCc1ccc(NCCCC(C)Cl)nc1
InChIInChI=1S/C11H17ClN2/c1-9-5-6-11(14-8-9)13-7-3-4-10(2)12/h5-6,8,10H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyYFBHUULUSNVXAK-UHFFFAOYSA-N
XLogP3.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

N-(4-chlorobutyl)-5-methylpyridin-2-amine
CID 106845125
4-[(5-methyl-2-pyridinyl)amino]butan-2-ol
CID 64911264
N-(5-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 62664659
N-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine
CID 143011658
N-(4-chloropentyl)pyrimidin-4-amine
CID 106124684
5-chloro-N-(3-chlorobutyl)pyridin-2-amine
CID 65028422
N-(3-ethoxypropyl)-5-methylpyridin-2-amine
CID 29271693
5-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 54931107
N-(3-chlorobutyl)-5-methoxypyridin-2-amine
CID 106505086
4-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride
CID 120565647
5-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 62693752
2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide
CID 119888018

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropentyl)-5-methylpyridin-2-amine?
The IUPAC name of N-(4-chloropentyl)-5-methylpyridin-2-amine (CID 106124548) is N-(4-chloropentyl)-5-methylpyridin-2-amine.
What is the SMILES notation for N-(4-chloropentyl)-5-methylpyridin-2-amine?
The canonical SMILES for N-(4-chloropentyl)-5-methylpyridin-2-amine is Cc1ccc(NCCCC(C)Cl)nc1.
What is the InChIKey of N-(4-chloropentyl)-5-methylpyridin-2-amine?
The InChIKey is YFBHUULUSNVXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-9-5-6-11(14-8-9)13-7-3-4-10(2)12/h5-6,8,10H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of N-(4-chloropentyl)-5-methylpyridin-2-amine?
N-(4-chloropentyl)-5-methylpyridin-2-amine has a molecular weight of 212.72 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropentyl)-5-methylpyridin-2-amine is sourced from PubChem (CID 106124548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).