N-(2-chloro-4-pyridinyl)-N',N'-diethylethane-1,2-diamine

C11H18ClN3 — CID 83813273

IUPACN-(2-chloro-4-pyridinyl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1ccnc(Cl)c1
InChIInChI=1S/C11H18ClN3/c1-3-15(4-2)8-7-13-10-5-6-14-11(12)9-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,13,14)
InChIKeyZIJTWWJRZBBFGA-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.49
Rot. Bonds6

About N-(2-chloro-4-pyridinyl)-N',N'-diethylethane-1,2-diamine

N-(2-chloro-4-pyridinyl)-N',N'-diethylethane-1,2-diamine (PubChem CID 83813273) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-chloro-4-pyridinyl)-N',N'-diethylethane-1,2-diamine
PubChem CID83813273
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC NameN-(2-chloro-4-pyridinyl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1ccnc(Cl)c1
InChIInChI=1S/C11H18ClN3/c1-3-15(4-2)8-7-13-10-5-6-14-11(12)9-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,13,14)
InChIKeyZIJTWWJRZBBFGA-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
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-[2-[(2-chloro-4-pyridinyl)amino]ethyl-ethylamino]ethanol
CID 133480149
N-(2-chloro-4-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 103756417
2-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 75525064
2-chloro-N-pent-3-ynylpyridin-4-amine
CID 106196309
2-chloro-N-(3-propoxypropyl)pyridin-4-amine
CID 102824346
4-[2-[ethyl(propyl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114132784
6-[(2-chloro-4-pyridinyl)amino]hexan-1-ol
CID 103918247
2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 104626521
3-[(2-chloro-4-pyridinyl)amino]-N-methylpropanamide
CID 103911721
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-4-amine
CID 102824217
3-[(2-chloro-4-pyridinyl)amino]propanamide
CID 102824025
2-chloro-N-[2-(2-methylphenyl)ethyl]pyridin-4-amine
CID 102824301

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-pyridinyl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(2-chloro-4-pyridinyl)-N',N'-diethylethane-1,2-diamine (CID 83813273) is N-(2-chloro-4-pyridinyl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(2-chloro-4-pyridinyl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(2-chloro-4-pyridinyl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1ccnc(Cl)c1.
What is the InChIKey of N-(2-chloro-4-pyridinyl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is ZIJTWWJRZBBFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-3-15(4-2)8-7-13-10-5-6-14-11(12)9-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,13,14).
What are the key properties of N-(2-chloro-4-pyridinyl)-N',N'-diethylethane-1,2-diamine?
N-(2-chloro-4-pyridinyl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 227.74 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-pyridinyl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 83813273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).