N'-[3-chloro-5-(chloromethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

C14H23Cl2N3 — CID 55008890

IUPACN'-[3-chloro-5-(chloromethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)c1ncc(CCl)cc1Cl
InChIInChI=1S/C14H23Cl2N3/c1-11(2)10-19(6-5-18(3)4)14-13(16)7-12(8-15)9-17-14/h7,9,11H,5-6,8,10H2,1-4H3
InChIKeyQSLLSOGRCPLXQW-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.50
Rot. Bonds7

About N'-[3-chloro-5-(chloromethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

N'-[3-chloro-5-(chloromethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 55008890) has the molecular formula C14H23Cl2N3 and a molecular weight of 304.27 g/mol. Its IUPAC name is N'-[3-chloro-5-(chloromethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-chloro-5-(chloromethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID55008890
Molecular FormulaC14H23Cl2N3
Molecular Weight304.27 g/mol
Exact Mass303.13
IUPAC NameN'-[3-chloro-5-(chloromethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)c1ncc(CCl)cc1Cl
InChIInChI=1S/C14H23Cl2N3/c1-11(2)10-19(6-5-18(3)4)14-13(16)7-12(8-15)9-17-14/h7,9,11H,5-6,8,10H2,1-4H3
InChIKeyQSLLSOGRCPLXQW-UHFFFAOYSA-N
XLogP3.50
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[3-chloro-5-(chloromethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine with MolForge

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Related Compounds

2-N-[3-chloro-5-(chloromethyl)-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190605
3-chloro-5-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine
CID 78943846
3-chloro-N,N-bis(2-methylpropyl)-5-(propylaminomethyl)pyridin-2-amine
CID 63490143
3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 62279192
3-chloro-5-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 63487574
N'-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 55059364
N'-[4-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 114925738
5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
CID 62285526
[3-chloro-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]phenyl]methanol
CID 81151916
N'-[3-chloro-5-[(cyclopropylamino)methyl]-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62294850
2,6-dichloro-1-N-[2-(dimethylamino)ethyl]-1-N-(2-methylpropyl)benzene-1,4-diamine
CID 106890203
3-N-[2-(dimethylamino)ethyl]-3-N-(2-methylpropyl)pyrazine-2,3-diamine
CID 102985665

Frequently Asked Questions

What is the IUPAC name of N'-[3-chloro-5-(chloromethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[3-chloro-5-(chloromethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 55008890) is N'-[3-chloro-5-(chloromethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[3-chloro-5-(chloromethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[3-chloro-5-(chloromethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(CCN(C)C)c1ncc(CCl)cc1Cl.
What is the InChIKey of N'-[3-chloro-5-(chloromethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is QSLLSOGRCPLXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23Cl2N3/c1-11(2)10-19(6-5-18(3)4)14-13(16)7-12(8-15)9-17-14/h7,9,11H,5-6,8,10H2,1-4H3.
What are the key properties of N'-[3-chloro-5-(chloromethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-[3-chloro-5-(chloromethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 304.27 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-chloro-5-(chloromethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 55008890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).