2-chloro-N-(2,3,3-trimethylbutan-2-yl)pyridin-4-amine

C12H19ClN2 — CID 130643026

IUPAC2-chloro-N-(2,3,3-trimethylbutan-2-yl)pyridin-4-amine
SMILESCC(C)(C)C(C)(C)Nc1ccnc(Cl)c1
InChIInChI=1S/C12H19ClN2/c1-11(2,3)12(4,5)15-9-6-7-14-10(13)8-9/h6-8H,1-5H3,(H,14,15)
InChIKeyBQCCQXSNTRCDGI-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.97
Rot. Bonds2

About 2-chloro-N-(2,3,3-trimethylbutan-2-yl)pyridin-4-amine

2-chloro-N-(2,3,3-trimethylbutan-2-yl)pyridin-4-amine (PubChem CID 130643026) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 2-chloro-N-(2,3,3-trimethylbutan-2-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,3,3-trimethylbutan-2-yl)pyridin-4-amine
PubChem CID130643026
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name2-chloro-N-(2,3,3-trimethylbutan-2-yl)pyridin-4-amine
SMILESCC(C)(C)C(C)(C)Nc1ccnc(Cl)c1
InChIInChI=1S/C12H19ClN2/c1-11(2,3)12(4,5)15-9-6-7-14-10(13)8-9/h6-8H,1-5H3,(H,14,15)
InChIKeyBQCCQXSNTRCDGI-UHFFFAOYSA-N
XLogP3.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-methylpentan-3-yl)pyridin-4-amine
CID 106330915
N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide
CID 58398271
2-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 75525064
3-[(2-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol
CID 130778820
N-(2-chloro-4-pyridinyl)methanethioamide
CID 143707313
2-chloro-N-pent-3-ynylpyridin-4-amine
CID 106196309
N-(2-chloro-4-pyridinyl)-N',N'-diethylethane-1,2-diamine
CID 83813273
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-4-amine
CID 106544949
2-chloro-N-[(5-methyloxolan-2-yl)methyl]pyridin-4-amine
CID 82835481
N-(2-chloro-4-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 103756417
2-chloro-N-[(3-methyloxetan-3-yl)methyl]pyridin-4-amine
CID 103756861
6-chloro-4-N-(2-chloro-4-pyridinyl)-2-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4-diamine
CID 138469118

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3,3-trimethylbutan-2-yl)pyridin-4-amine?
The IUPAC name of 2-chloro-N-(2,3,3-trimethylbutan-2-yl)pyridin-4-amine (CID 130643026) is 2-chloro-N-(2,3,3-trimethylbutan-2-yl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-(2,3,3-trimethylbutan-2-yl)pyridin-4-amine?
The canonical SMILES for 2-chloro-N-(2,3,3-trimethylbutan-2-yl)pyridin-4-amine is CC(C)(C)C(C)(C)Nc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(2,3,3-trimethylbutan-2-yl)pyridin-4-amine?
The InChIKey is BQCCQXSNTRCDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-11(2,3)12(4,5)15-9-6-7-14-10(13)8-9/h6-8H,1-5H3,(H,14,15).
What are the key properties of 2-chloro-N-(2,3,3-trimethylbutan-2-yl)pyridin-4-amine?
2-chloro-N-(2,3,3-trimethylbutan-2-yl)pyridin-4-amine has a molecular weight of 226.75 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3,3-trimethylbutan-2-yl)pyridin-4-amine is sourced from PubChem (CID 130643026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).