N-butyl-2-chloro-4-methylpyridin-3-amine

C10H15ClN2 — CID 65483347

IUPACN-butyl-2-chloro-4-methylpyridin-3-amine
SMILESCCCCNc1c(C)ccnc1Cl
InChIInChI=1S/C10H15ClN2/c1-3-4-6-12-9-8(2)5-7-13-10(9)11/h5,7,12H,3-4,6H2,1-2H3
InChIKeyFWDQXNFDAGIEQX-UHFFFAOYSA-N
MW198.70 g/mol
LogP3.26
Rot. Bonds4

About N-butyl-2-chloro-4-methylpyridin-3-amine

N-butyl-2-chloro-4-methylpyridin-3-amine (PubChem CID 65483347) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is N-butyl-2-chloro-4-methylpyridin-3-amine.

Molecular Properties

Compound NameN-butyl-2-chloro-4-methylpyridin-3-amine
PubChem CID65483347
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC NameN-butyl-2-chloro-4-methylpyridin-3-amine
SMILESCCCCNc1c(C)ccnc1Cl
InChIInChI=1S/C10H15ClN2/c1-3-4-6-12-9-8(2)5-7-13-10(9)11/h5,7,12H,3-4,6H2,1-2H3
InChIKeyFWDQXNFDAGIEQX-UHFFFAOYSA-N
XLogP3.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-methyl-N-(4-methylsulfanylbutyl)pyridin-3-amine
CID 103088102
2-chloro-4-methyl-N-(3-phenylpropyl)pyridin-3-amine
CID 65485111
2-chloro-N-(2,2-dimethylpropyl)-4-methylpyridin-3-amine
CID 65483153
2-chloro-N-(2-ethylbutyl)-4-methylpyridin-3-amine
CID 65483551
2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-methylpyridin-3-amine
CID 65489501
N-[(4-tert-butylphenyl)methyl]-2-chloro-4-methylpyridin-3-amine
CID 65484317
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridin-3-amine
CID 65485112
2-chloro-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyridin-3-amine
CID 81311469
2-chloro-4-methyl-N-(thiophen-3-ylmethyl)pyridin-3-amine
CID 65485686
2-chloro-4-methyl-N-(piperidin-4-ylmethyl)pyridin-3-amine
CID 79708209
2-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylpyridin-3-amine
CID 65483729
N-(2-chloro-4-methyl-3-pyridinyl)-2-(propylamino)benzamide
CID 65489901

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-4-methylpyridin-3-amine?
The IUPAC name of N-butyl-2-chloro-4-methylpyridin-3-amine (CID 65483347) is N-butyl-2-chloro-4-methylpyridin-3-amine.
What is the SMILES notation for N-butyl-2-chloro-4-methylpyridin-3-amine?
The canonical SMILES for N-butyl-2-chloro-4-methylpyridin-3-amine is CCCCNc1c(C)ccnc1Cl.
What is the InChIKey of N-butyl-2-chloro-4-methylpyridin-3-amine?
The InChIKey is FWDQXNFDAGIEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-3-4-6-12-9-8(2)5-7-13-10(9)11/h5,7,12H,3-4,6H2,1-2H3.
What are the key properties of N-butyl-2-chloro-4-methylpyridin-3-amine?
N-butyl-2-chloro-4-methylpyridin-3-amine has a molecular weight of 198.70 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-4-methylpyridin-3-amine is sourced from PubChem (CID 65483347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).