2-N-benzyl-6-chloro-2-N-propan-2-ylpyridine-2,3-diamine

C15H18ClN3 — CID 115473540

IUPAC2-N-benzyl-6-chloro-2-N-propan-2-ylpyridine-2,3-diamine
SMILESCC(C)N(Cc1ccccc1)c1nc(Cl)ccc1N
InChIInChI=1S/C15H18ClN3/c1-11(2)19(10-12-6-4-3-5-7-12)15-13(17)8-9-14(16)18-15/h3-9,11H,10,17H2,1-2H3
InChIKeyPCRKDERRKGLCCE-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.73
Rot. Bonds4

About 2-N-benzyl-6-chloro-2-N-propan-2-ylpyridine-2,3-diamine

2-N-benzyl-6-chloro-2-N-propan-2-ylpyridine-2,3-diamine (PubChem CID 115473540) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-N-benzyl-6-chloro-2-N-propan-2-ylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-benzyl-6-chloro-2-N-propan-2-ylpyridine-2,3-diamine
PubChem CID115473540
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name2-N-benzyl-6-chloro-2-N-propan-2-ylpyridine-2,3-diamine
SMILESCC(C)N(Cc1ccccc1)c1nc(Cl)ccc1N
InChIInChI=1S/C15H18ClN3/c1-11(2)19(10-12-6-4-3-5-7-12)15-13(17)8-9-14(16)18-15/h3-9,11H,10,17H2,1-2H3
InChIKeyPCRKDERRKGLCCE-UHFFFAOYSA-N
XLogP3.73
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.73
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-N-benzyl-6-chloro-2-N-methylpyridine-2,3-diamine
CID 115473524
2-[benzyl(propan-2-yl)amino]-6-chloropyridine-3-carboxylic acid
CID 63376936
3-[(3-amino-6-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 115473977
N-benzyl-4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine
CID 55124467
6-chloro-2-N,2-N-bis(2-methylpropyl)pyridine-2,3-diamine
CID 113316760
1-N-benzyl-3-chloro-1-N-propan-2-ylbenzene-1,2-diamine
CID 104833916
5-amino-6-[benzyl(propan-2-yl)amino]pyridine-3-carbonitrile
CID 103467234
6-N-benzyl-6-N-propan-2-yl-7H-purine-2,6-diamine
CID 114783307
2-N-benzyl-2-N-propan-2-ylpyrimidine-2,5-diamine
CID 61145774
N-benzyl-2-chloro-N-propan-2-ylpyrimidin-4-amine
CID 55065278
3-N-benzyl-2-methyl-3-N-propan-2-ylbenzene-1,3-diamine
CID 63075720
6-[[benzyl(propan-2-yl)amino]methyl]-5-chloropyridin-2-amine
CID 62890943

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-6-chloro-2-N-propan-2-ylpyridine-2,3-diamine?
The IUPAC name of 2-N-benzyl-6-chloro-2-N-propan-2-ylpyridine-2,3-diamine (CID 115473540) is 2-N-benzyl-6-chloro-2-N-propan-2-ylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-benzyl-6-chloro-2-N-propan-2-ylpyridine-2,3-diamine?
The canonical SMILES for 2-N-benzyl-6-chloro-2-N-propan-2-ylpyridine-2,3-diamine is CC(C)N(Cc1ccccc1)c1nc(Cl)ccc1N.
What is the InChIKey of 2-N-benzyl-6-chloro-2-N-propan-2-ylpyridine-2,3-diamine?
The InChIKey is PCRKDERRKGLCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-11(2)19(10-12-6-4-3-5-7-12)15-13(17)8-9-14(16)18-15/h3-9,11H,10,17H2,1-2H3.
What are the key properties of 2-N-benzyl-6-chloro-2-N-propan-2-ylpyridine-2,3-diamine?
2-N-benzyl-6-chloro-2-N-propan-2-ylpyridine-2,3-diamine has a molecular weight of 275.78 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-6-chloro-2-N-propan-2-ylpyridine-2,3-diamine is sourced from PubChem (CID 115473540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).