N-tert-butyl-2-chloro-N-ethylpyridin-4-amine

C11H17ClN2 — CID 130921684

IUPACN-tert-butyl-2-chloro-N-ethylpyridin-4-amine
SMILESCCN(c1ccnc(Cl)c1)C(C)(C)C
InChIInChI=1S/C11H17ClN2/c1-5-14(11(2,3)4)9-6-7-13-10(12)8-9/h6-8H,5H2,1-4H3
InChIKeyAHUAXCHTXDVPSJ-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.36
Rot. Bonds2

About N-tert-butyl-2-chloro-N-ethylpyridin-4-amine

N-tert-butyl-2-chloro-N-ethylpyridin-4-amine (PubChem CID 130921684) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-N-ethylpyridin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-N-ethylpyridin-4-amine
PubChem CID130921684
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC NameN-tert-butyl-2-chloro-N-ethylpyridin-4-amine
SMILESCCN(c1ccnc(Cl)c1)C(C)(C)C
InChIInChI=1S/C11H17ClN2/c1-5-14(11(2,3)4)9-6-7-13-10(12)8-9/h6-8H,5H2,1-4H3
InChIKeyAHUAXCHTXDVPSJ-UHFFFAOYSA-N
XLogP3.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-tert-butyl-2-chloro-N-ethylpyridin-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-chloro-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine
CID 103756761
N-[(2-chloro-4-pyridinyl)methyl]-N-ethyl-2-methylpropan-2-amine
CID 118531495
2-chloro-N,N-bis(4-pentylphenyl)pyridin-4-amine
CID 118346908
2-[(2-chloro-4-pyridinyl)-methylamino]propan-1-ol
CID 103873023
2-chloro-N-methyl-N-(2-methylbutyl)pyridin-4-amine
CID 103756833
N'-(2-chloro-4-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine
CID 103757162
2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-4-amine
CID 102809534
2-[(2-chloro-4-pyridinyl)-ethylamino]-N-methylacetamide
CID 102824068
2-[(2-chloro-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide
CID 102824069
2-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyridin-4-amine
CID 102824052
2-chloro-N-methyl-N-(4-methylphenyl)pyridin-4-amine
CID 102824160
N-(2-chloro-4-pyridinyl)-N',N'-diethylethane-1,2-diamine
CID 83813273

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chloro-N-ethylpyridin-4-amine?
The IUPAC name of N-tert-butyl-2-chloro-N-ethylpyridin-4-amine (CID 130921684) is N-tert-butyl-2-chloro-N-ethylpyridin-4-amine.
What is the SMILES notation for N-tert-butyl-2-chloro-N-ethylpyridin-4-amine?
The canonical SMILES for N-tert-butyl-2-chloro-N-ethylpyridin-4-amine is CCN(c1ccnc(Cl)c1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-chloro-N-ethylpyridin-4-amine?
The InChIKey is AHUAXCHTXDVPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-5-14(11(2,3)4)9-6-7-13-10(12)8-9/h6-8H,5H2,1-4H3.
What are the key properties of N-tert-butyl-2-chloro-N-ethylpyridin-4-amine?
N-tert-butyl-2-chloro-N-ethylpyridin-4-amine has a molecular weight of 212.72 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-chloro-N-ethylpyridin-4-amine is sourced from PubChem (CID 130921684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).