N'-(3-chloro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine

C11H18ClN3 — CID 62591421

IUPACN'-(3-chloro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)c1ncccc1Cl
InChIInChI=1S/C11H18ClN3/c1-3-6-13-8-9-15(2)11-10(12)5-4-7-14-11/h4-5,7,13H,3,6,8-9H2,1-2H3
InChIKeyUTRWCQQZTJNVFW-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.17
Rot. Bonds6

About N'-(3-chloro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine

N'-(3-chloro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine (PubChem CID 62591421) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is N'-(3-chloro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-chloro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine
PubChem CID62591421
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC NameN'-(3-chloro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)c1ncccc1Cl
InChIInChI=1S/C11H18ClN3/c1-3-6-13-8-9-15(2)11-10(12)5-4-7-14-11/h4-5,7,13H,3,6,8-9H2,1-2H3
InChIKeyUTRWCQQZTJNVFW-UHFFFAOYSA-N
XLogP2.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-(3-chloro-2-pyridinyl)-N'-methyl-N-propylethane-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'-(3-chloro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine?
The IUPAC name of N'-(3-chloro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine (CID 62591421) is N'-(3-chloro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-(3-chloro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine?
The canonical SMILES for N'-(3-chloro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine is CCCNCCN(C)c1ncccc1Cl.
What is the InChIKey of N'-(3-chloro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine?
The InChIKey is UTRWCQQZTJNVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-3-6-13-8-9-15(2)11-10(12)5-4-7-14-11/h4-5,7,13H,3,6,8-9H2,1-2H3.
What are the key properties of N'-(3-chloro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine?
N'-(3-chloro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine has a molecular weight of 227.74 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 62591421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).