N'-(4-chlorophthalazin-1-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine

C15H21ClN4 — CID 102995593

IUPACN'-(4-chlorophthalazin-1-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)c1nnc(Cl)c2ccccc12
InChIInChI=1S/C15H21ClN4/c1-4-20(11-7-10-19(2)3)15-13-9-6-5-8-12(13)14(16)17-18-15/h5-6,8-9H,4,7,10-11H2,1-3H3
InChIKeyIJCHYUIDIAUPNC-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.06
Rot. Bonds6

About N'-(4-chlorophthalazin-1-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine

N'-(4-chlorophthalazin-1-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 102995593) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is N'-(4-chlorophthalazin-1-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-chlorophthalazin-1-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID102995593
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC NameN'-(4-chlorophthalazin-1-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)c1nnc(Cl)c2ccccc12
InChIInChI=1S/C15H21ClN4/c1-4-20(11-7-10-19(2)3)15-13-9-6-5-8-12(13)14(16)17-18-15/h5-6,8-9H,4,7,10-11H2,1-3H3
InChIKeyIJCHYUIDIAUPNC-UHFFFAOYSA-N
XLogP3.06
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-ethyl-N-methylphthalazin-1-amine
CID 62141193
4-chloro-N-ethyl-N-(2-methylbutyl)phthalazin-1-amine
CID 79470782
N'-(2-chloroquinazolin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995601
N-butyl-4-chloro-N-methylphthalazin-1-amine
CID 62140980
N'-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995629
N'-[3-(aminomethyl)isoquinolin-1-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997412
4-chloro-N-methyl-N-pentan-2-ylphthalazin-1-amine
CID 62141729
N'-(6-chloro-5-methylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995604
3-[(4-chlorophthalazin-1-yl)-(2-methylpropyl)amino]propanenitrile
CID 62142333
N'-(6-chloro-5-ethylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995636
4-chloro-N-ethyl-N-(2-methylphenyl)phthalazin-1-amine
CID 63548010
N'-ethyl-N'-(4-methylphthalazin-1-yl)ethane-1,2-diamine
CID 63765499

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophthalazin-1-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(4-chlorophthalazin-1-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 102995593) is N'-(4-chlorophthalazin-1-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-chlorophthalazin-1-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(4-chlorophthalazin-1-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)c1nnc(Cl)c2ccccc12.
What is the InChIKey of N'-(4-chlorophthalazin-1-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is IJCHYUIDIAUPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-4-20(11-7-10-19(2)3)15-13-9-6-5-8-12(13)14(16)17-18-15/h5-6,8-9H,4,7,10-11H2,1-3H3.
What are the key properties of N'-(4-chlorophthalazin-1-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-(4-chlorophthalazin-1-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 292.81 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophthalazin-1-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102995593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).