5-chloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine

C12H19ClN2 — CID 79035520

IUPAC5-chloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine
SMILESCC(CNc1ccc(Cl)cn1)C(C)(C)C
InChIInChI=1S/C12H19ClN2/c1-9(12(2,3)4)7-14-11-6-5-10(13)8-15-11/h5-6,8-9H,7H2,1-4H3,(H,14,15)
InChIKeyAZAFAFZLURUHAP-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.83
Rot. Bonds3

About 5-chloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine

5-chloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine (PubChem CID 79035520) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 5-chloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine
PubChem CID79035520
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name5-chloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine
SMILESCC(CNc1ccc(Cl)cn1)C(C)(C)C
InChIInChI=1S/C12H19ClN2/c1-9(12(2,3)4)7-14-11-6-5-10(13)8-15-11/h5-6,8-9H,7H2,1-4H3,(H,14,15)
InChIKeyAZAFAFZLURUHAP-UHFFFAOYSA-N
XLogP3.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-N-(2,3,3-trimethylbutyl)pyridin-2-amine
CID 107874830
3-[(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82316740
5-chloro-N-(2-cyclopropylpropyl)pyridin-2-amine
CID 115658742
N'-(5-chloro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine
CID 115366147
5-chloro-N-(3-chlorobutyl)pyridin-2-amine
CID 65028422
5-chloro-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine
CID 97119017
5-chloro-N-[2-(2-chloroethyl)pentyl]pyridin-2-amine
CID 106117269
N'-(5-chloro-2-pyridinyl)ethane-1,2-diamine;hydrochloride
CID 18507461
5-chloro-N-(3-phenylbutyl)pyridin-2-amine
CID 62986989
2-N-(5-chloro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine
CID 115310079
5-bromo-N-(2,3-dimethylbutyl)pyridin-2-amine
CID 64597766
2-[(5-chloro-2-pyridinyl)amino]-1-(2-fluorophenyl)ethanol
CID 133351470

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine (CID 79035520) is 5-chloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine is CC(CNc1ccc(Cl)cn1)C(C)(C)C.
What is the InChIKey of 5-chloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine?
The InChIKey is AZAFAFZLURUHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-9(12(2,3)4)7-14-11-6-5-10(13)8-15-11/h5-6,8-9H,7H2,1-4H3,(H,14,15).
What are the key properties of 5-chloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine?
5-chloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine has a molecular weight of 226.75 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine is sourced from PubChem (CID 79035520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).