N-(2-chloro-4-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

C13H22ClN3 — CID 103756417

IUPACN-(2-chloro-4-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNc1ccnc(Cl)c1)C(C)C
InChIInChI=1S/C13H22ClN3/c1-10(2)17(11(3)4)8-7-15-12-5-6-16-13(14)9-12/h5-6,9-11H,7-8H2,1-4H3,(H,15,16)
InChIKeyYMYJMAFNZRMNFJ-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.27
Rot. Bonds6

About N-(2-chloro-4-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-(2-chloro-4-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 103756417) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-chloro-4-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID103756417
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC NameN-(2-chloro-4-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNc1ccnc(Cl)c1)C(C)C
InChIInChI=1S/C13H22ClN3/c1-10(2)17(11(3)4)8-7-15-12-5-6-16-13(14)9-12/h5-6,9-11H,7-8H2,1-4H3,(H,15,16)
InChIKeyYMYJMAFNZRMNFJ-UHFFFAOYSA-N
XLogP3.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-chloro-4-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine with MolForge

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Related Compounds

N-(2-chloro-4-pyridinyl)-N',N'-diethylethane-1,2-diamine
CID 83813273
2-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 75525064
4-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid
CID 43143006
N-(2-methyl-4-pyridinyl)-N',N'-di(propan-2-yl)propane-1,3-diamine
CID 133492181
2-[2-[(2-chloro-4-pyridinyl)amino]ethyl-ethylamino]ethanol
CID 133480149
4-[2-[di(propan-2-yl)amino]ethylamino]-N-ethylpyridine-2-carboxamide
CID 43517863
2-chloro-N-pent-3-ynylpyridin-4-amine
CID 106196309
2-chloro-4-[2-[di(propan-2-yl)amino]ethylamino]benzonitrile
CID 62944344
6-[(2-chloro-4-pyridinyl)amino]hexan-1-ol
CID 103918247
3-[(2-chloro-4-pyridinyl)amino]-N-methylpropanamide
CID 103911721
N-(4-methoxy-2-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 12857633
3-[(2-chloro-4-pyridinyl)amino]propanamide
CID 102824025

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-chloro-4-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 103756417) is N-(2-chloro-4-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-chloro-4-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-chloro-4-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is CC(C)N(CCNc1ccnc(Cl)c1)C(C)C.
What is the InChIKey of N-(2-chloro-4-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is YMYJMAFNZRMNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-10(2)17(11(3)4)8-7-15-12-5-6-16-13(14)9-12/h5-6,9-11H,7-8H2,1-4H3,(H,15,16).
What are the key properties of N-(2-chloro-4-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-(2-chloro-4-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 255.79 g/mol, XLogP of 3.27, 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'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 103756417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).