N'-(5-chloro-2-pyridinyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine

C11H18ClN3 — CID 62585670

IUPACN'-(5-chloro-2-pyridinyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCN(C)c1ccc(Cl)cn1
InChIInChI=1S/C11H18ClN3/c1-9(2)13-6-7-15(3)11-5-4-10(12)8-14-11/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyKXMGXGZTSYFCPK-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.17
Rot. Bonds5

About N'-(5-chloro-2-pyridinyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine

N'-(5-chloro-2-pyridinyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 62585670) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-chloro-2-pyridinyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
PubChem CID62585670
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC NameN'-(5-chloro-2-pyridinyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCN(C)c1ccc(Cl)cn1
InChIInChI=1S/C11H18ClN3/c1-9(2)13-6-7-15(3)11-5-4-10(12)8-14-11/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyKXMGXGZTSYFCPK-UHFFFAOYSA-N
XLogP2.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-(5-chloro-2-pyridinyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-pyridinyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-(5-chloro-2-pyridinyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine (CID 62585670) is N'-(5-chloro-2-pyridinyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(5-chloro-2-pyridinyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(5-chloro-2-pyridinyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine is CC(C)NCCN(C)c1ccc(Cl)cn1.
What is the InChIKey of N'-(5-chloro-2-pyridinyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The InChIKey is KXMGXGZTSYFCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-9(2)13-6-7-15(3)11-5-4-10(12)8-14-11/h4-5,8-9,13H,6-7H2,1-3H3.
What are the key properties of N'-(5-chloro-2-pyridinyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
N'-(5-chloro-2-pyridinyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 227.74 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-pyridinyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62585670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).