6-chloro-2-N,2-N-bis(2-methylpropyl)pyridine-2,3-diamine

C13H22ClN3 — CID 113316760

IUPAC6-chloro-2-N,2-N-bis(2-methylpropyl)pyridine-2,3-diamine
SMILESCC(C)CN(CC(C)C)c1nc(Cl)ccc1N
InChIInChI=1S/C13H22ClN3/c1-9(2)7-17(8-10(3)4)13-11(15)5-6-12(14)16-13/h5-6,9-10H,7-8,15H2,1-4H3
InChIKeyNCDPTAKJFIKLIZ-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.44
Rot. Bonds5

About 6-chloro-2-N,2-N-bis(2-methylpropyl)pyridine-2,3-diamine

6-chloro-2-N,2-N-bis(2-methylpropyl)pyridine-2,3-diamine (PubChem CID 113316760) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-bis(2-methylpropyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-bis(2-methylpropyl)pyridine-2,3-diamine
PubChem CID113316760
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name6-chloro-2-N,2-N-bis(2-methylpropyl)pyridine-2,3-diamine
SMILESCC(C)CN(CC(C)C)c1nc(Cl)ccc1N
InChIInChI=1S/C13H22ClN3/c1-9(2)7-17(8-10(3)4)13-11(15)5-6-12(14)16-13/h5-6,9-10H,7-8,15H2,1-4H3
InChIKeyNCDPTAKJFIKLIZ-UHFFFAOYSA-N
XLogP3.44
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-amino-6-chloro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 115473782
6-chloro-2-N,2-N-bis(cyclopropylmethyl)pyridine-2,3-diamine
CID 115474204
2-N-[2-(dimethylamino)ethyl]-6-methoxy-2-N-(2-methylpropyl)pyridine-2,3-diamine
CID 115320620
2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-6-chloropyridine-3-carboxylic acid
CID 63379944
2-N-benzyl-6-chloro-2-N-propan-2-ylpyridine-2,3-diamine
CID 115473540
3-[(3-amino-6-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 115473977
6-chloro-2-N-ethyl-2-N-(4-methylphenyl)pyridine-2,3-diamine
CID 115474047
6-chloro-N-ethyl-N-(2-methylpropyl)pyridin-2-amine
CID 63588786
6-chloro-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,3-diamine
CID 112656901
6-methoxy-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine
CID 43587868
2-N-benzyl-6-chloro-2-N-methylpyridine-2,3-diamine
CID 115473524
2-chloro-N,N-bis(2-methylpropyl)pyrimidin-4-amine
CID 62343656

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-bis(2-methylpropyl)pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N,2-N-bis(2-methylpropyl)pyridine-2,3-diamine (CID 113316760) is 6-chloro-2-N,2-N-bis(2-methylpropyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-bis(2-methylpropyl)pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-bis(2-methylpropyl)pyridine-2,3-diamine is CC(C)CN(CC(C)C)c1nc(Cl)ccc1N.
What is the InChIKey of 6-chloro-2-N,2-N-bis(2-methylpropyl)pyridine-2,3-diamine?
The InChIKey is NCDPTAKJFIKLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-9(2)7-17(8-10(3)4)13-11(15)5-6-12(14)16-13/h5-6,9-10H,7-8,15H2,1-4H3.
What are the key properties of 6-chloro-2-N,2-N-bis(2-methylpropyl)pyridine-2,3-diamine?
6-chloro-2-N,2-N-bis(2-methylpropyl)pyridine-2,3-diamine has a molecular weight of 255.79 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-bis(2-methylpropyl)pyridine-2,3-diamine is sourced from PubChem (CID 113316760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).