N-(3-chloropropyl)-N-cyclobutyl-5-methylpyridin-2-amine

C13H19ClN2 — CID 102871477

IUPACN-(3-chloropropyl)-N-cyclobutyl-5-methylpyridin-2-amine
SMILESCc1ccc(N(CCCCl)C2CCC2)nc1
InChIInChI=1S/C13H19ClN2/c1-11-6-7-13(15-10-11)16(9-3-8-14)12-4-2-5-12/h6-7,10,12H,2-5,8-9H2,1H3
InChIKeyAMVMRWMSTQXQEE-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.38
Rot. Bonds5

About N-(3-chloropropyl)-N-cyclobutyl-5-methylpyridin-2-amine

N-(3-chloropropyl)-N-cyclobutyl-5-methylpyridin-2-amine (PubChem CID 102871477) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-cyclobutyl-5-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-cyclobutyl-5-methylpyridin-2-amine
PubChem CID102871477
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC NameN-(3-chloropropyl)-N-cyclobutyl-5-methylpyridin-2-amine
SMILESCc1ccc(N(CCCCl)C2CCC2)nc1
InChIInChI=1S/C13H19ClN2/c1-11-6-7-13(15-10-11)16(9-3-8-14)12-4-2-5-12/h6-7,10,12H,2-5,8-9H2,1H3
InChIKeyAMVMRWMSTQXQEE-UHFFFAOYSA-N
XLogP3.38
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-cyclopentyl-5-methylpyridin-2-amine
CID 63388501
N-(2-chloroethyl)-N-cyclohexyl-5-methylpyridin-2-amine
CID 63388277
3-[cyclobutyl-(5-methyl-2-pyridinyl)amino]propan-1-ol
CID 102846717
2-[cyclopropyl-(5-methyl-2-pyridinyl)amino]ethanol
CID 61146522
N-(3-chloropropyl)-N-cyclobutyl-5,6-dimethylpyrazin-2-amine
CID 102871463
5-chloro-N-(2-chloroethyl)-N-cyclobutylpyridin-2-amine
CID 102871738
N-(2-chloroethyl)-N-cyclopropyl-5-methoxypyridin-2-amine
CID 106505048
4-N-(5-methyl-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112114
N-(2-chloroethyl)-N,5-dimethylpyridin-2-amine
CID 63392372
N-(3-chloropropyl)-N-cyclobutyl-6-methoxypyrazin-2-amine
CID 102871504
3-[cyclobutyl-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol
CID 102864183
N-(3-chloropropyl)-N-cyclobutylpyrimidin-2-amine
CID 102871366

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-cyclobutyl-5-methylpyridin-2-amine?
The IUPAC name of N-(3-chloropropyl)-N-cyclobutyl-5-methylpyridin-2-amine (CID 102871477) is N-(3-chloropropyl)-N-cyclobutyl-5-methylpyridin-2-amine.
What is the SMILES notation for N-(3-chloropropyl)-N-cyclobutyl-5-methylpyridin-2-amine?
The canonical SMILES for N-(3-chloropropyl)-N-cyclobutyl-5-methylpyridin-2-amine is Cc1ccc(N(CCCCl)C2CCC2)nc1.
What is the InChIKey of N-(3-chloropropyl)-N-cyclobutyl-5-methylpyridin-2-amine?
The InChIKey is AMVMRWMSTQXQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-11-6-7-13(15-10-11)16(9-3-8-14)12-4-2-5-12/h6-7,10,12H,2-5,8-9H2,1H3.
What are the key properties of N-(3-chloropropyl)-N-cyclobutyl-5-methylpyridin-2-amine?
N-(3-chloropropyl)-N-cyclobutyl-5-methylpyridin-2-amine has a molecular weight of 238.76 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-cyclobutyl-5-methylpyridin-2-amine is sourced from PubChem (CID 102871477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).