N-[2-(chloromethyl)-2-ethylbutyl]-2-methylpyridin-4-amine

C13H21ClN2 — CID 106252961

IUPACN-[2-(chloromethyl)-2-ethylbutyl]-2-methylpyridin-4-amine
SMILESCCC(CC)(CCl)CNc1ccnc(C)c1
InChIInChI=1S/C13H21ClN2/c1-4-13(5-2,9-14)10-16-12-6-7-15-11(3)8-12/h6-8H,4-5,9-10H2,1-3H3,(H,15,16)
InChIKeyLRHRXABSGKENLR-UHFFFAOYSA-N
MW240.78 g/mol
LogP3.85
Rot. Bonds6

About N-[2-(chloromethyl)-2-ethylbutyl]-2-methylpyridin-4-amine

N-[2-(chloromethyl)-2-ethylbutyl]-2-methylpyridin-4-amine (PubChem CID 106252961) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is N-[2-(chloromethyl)-2-ethylbutyl]-2-methylpyridin-4-amine.

Molecular Properties

Compound NameN-[2-(chloromethyl)-2-ethylbutyl]-2-methylpyridin-4-amine
PubChem CID106252961
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC NameN-[2-(chloromethyl)-2-ethylbutyl]-2-methylpyridin-4-amine
SMILESCCC(CC)(CCl)CNc1ccnc(C)c1
InChIInChI=1S/C13H21ClN2/c1-4-13(5-2,9-14)10-16-12-6-7-15-11(3)8-12/h6-8H,4-5,9-10H2,1-3H3,(H,15,16)
InChIKeyLRHRXABSGKENLR-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(chloromethyl)-2-ethylbutyl]-2-methylpyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-N-(2-methyl-4-pyridinyl)butane-1,4-diamine
CID 106142118
2-methyl-N-propylpyridin-4-amine
CID 79240818
N-[2-(chloromethyl)-2-ethylbutyl]-2,6-dimethylpyrimidin-4-amine
CID 106252969
2,2-diethyl-N'-(2-methoxy-4-pyridinyl)propane-1,3-diamine
CID 106252050
N-[2-(chloromethyl)-2-ethylbutyl]-3-ethoxypyridin-2-amine
CID 106252954
N-[(E)-but-2-enyl]-2-methylpyridin-4-amine
CID 131243959
2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-4-amine
CID 103512470
methyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-2-carboxylate
CID 103844394
4-(chloromethyl)-2-methylpyridine
CID 12675262
N-[2-(chloromethyl)-2-ethylbutyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 106252837
N-(2,2-dimethylbutyl)-2-methoxypyridin-4-amine
CID 103462625
N-[2-(chloromethyl)-2-ethylbutyl]-1,2,4-thiadiazol-5-amine
CID 106252780

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)-2-ethylbutyl]-2-methylpyridin-4-amine?
The IUPAC name of N-[2-(chloromethyl)-2-ethylbutyl]-2-methylpyridin-4-amine (CID 106252961) is N-[2-(chloromethyl)-2-ethylbutyl]-2-methylpyridin-4-amine.
What is the SMILES notation for N-[2-(chloromethyl)-2-ethylbutyl]-2-methylpyridin-4-amine?
The canonical SMILES for N-[2-(chloromethyl)-2-ethylbutyl]-2-methylpyridin-4-amine is CCC(CC)(CCl)CNc1ccnc(C)c1.
What is the InChIKey of N-[2-(chloromethyl)-2-ethylbutyl]-2-methylpyridin-4-amine?
The InChIKey is LRHRXABSGKENLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-4-13(5-2,9-14)10-16-12-6-7-15-11(3)8-12/h6-8H,4-5,9-10H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(chloromethyl)-2-ethylbutyl]-2-methylpyridin-4-amine?
N-[2-(chloromethyl)-2-ethylbutyl]-2-methylpyridin-4-amine has a molecular weight of 240.78 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)-2-ethylbutyl]-2-methylpyridin-4-amine is sourced from PubChem (CID 106252961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).