N-tert-butyl-5-chloropyridin-2-amine

C9H13ClN2 — CID 3735257

IUPACN-tert-butyl-5-chloropyridin-2-amine
SMILESCC(C)(C)Nc1ccc(Cl)cn1
InChIInChI=1S/C9H13ClN2/c1-9(2,3)12-8-5-4-7(10)6-11-8/h4-6H,1-3H3,(H,11,12)
InChIKeyYMMYQXKSHCXADD-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.95
Rot. Bonds1

About N-tert-butyl-5-chloropyridin-2-amine

N-tert-butyl-5-chloropyridin-2-amine (PubChem CID 3735257) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is N-tert-butyl-5-chloropyridin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-5-chloropyridin-2-amine
PubChem CID3735257
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC NameN-tert-butyl-5-chloropyridin-2-amine
SMILESCC(C)(C)Nc1ccc(Cl)cn1
InChIInChI=1S/C9H13ClN2/c1-9(2,3)12-8-5-4-7(10)6-11-8/h4-6H,1-3H3,(H,11,12)
InChIKeyYMMYQXKSHCXADD-UHFFFAOYSA-N
XLogP2.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-5-chloropyridin-2-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

1-(6-Chloro-2-pyridinyl)-4-piperidinamine hydrochloride
CID 131746
N-2-Pyridylaniline
CID 81130
2,2'-Dipyridylamine
CID 14547
Acetamiprid metabolite (IM-1-5)
CID 19967186
1-(6-Chloro-2-pyridinyl)-4-piperidinamine
CID 131747
2-Pyridinamine, N-methyl-
CID 20727
2-Amino-5-chloropyridine
CID 66174
N-(4-Chlorophenyl)-N'-(2-pyridinyl)urea
CID 769416
N2-(4-chlorophenyl)pyridine-2,3-diamine
CID 12445422
N-((4-chlorophenyl)methyl)pyridin-2-amine
CID 89881
1-(2-Chlorophenyl)-3-(pyridin-2-yl)thiourea
CID 972361
[{(5-Chloro-2-Pyridinyl)Amino} Methylene]-1,1-Bisphosphonate
CID 405389

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-chloropyridin-2-amine?
The IUPAC name of N-tert-butyl-5-chloropyridin-2-amine (CID 3735257) is N-tert-butyl-5-chloropyridin-2-amine.
What is the SMILES notation for N-tert-butyl-5-chloropyridin-2-amine?
The canonical SMILES for N-tert-butyl-5-chloropyridin-2-amine is CC(C)(C)Nc1ccc(Cl)cn1.
What is the InChIKey of N-tert-butyl-5-chloropyridin-2-amine?
The InChIKey is YMMYQXKSHCXADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-9(2,3)12-8-5-4-7(10)6-11-8/h4-6H,1-3H3,(H,11,12).
What are the key properties of N-tert-butyl-5-chloropyridin-2-amine?
N-tert-butyl-5-chloropyridin-2-amine has a molecular weight of 184.67 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-chloropyridin-2-amine is sourced from PubChem (CID 3735257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).