N-(13,14-dichloro-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)-N',N'-diethylethane-1,2-diamine

C19H24Cl2N4 — CID 70357391

IUPACN-(13,14-dichloro-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1cc2c(nn1)-c1cc(Cl)c(Cl)cc1CCC2
InChIInChI=1S/C19H24Cl2N4/c1-3-25(4-2)9-8-22-18-11-14-7-5-6-13-10-16(20)17(21)12-15(13)19(14)24-23-18/h10-12H,3-9H2,1-2H3,(H,22,23)
InChIKeyUTPPWSMVKAQJPN-UHFFFAOYSA-N
MW379.34 g/mol
LogP4.69
Rot. Bonds6

About N-(13,14-dichloro-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)-N',N'-diethylethane-1,2-diamine

N-(13,14-dichloro-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)-N',N'-diethylethane-1,2-diamine (PubChem CID 70357391) has the molecular formula C19H24Cl2N4 and a molecular weight of 379.34 g/mol. Its IUPAC name is N-(13,14-dichloro-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(13,14-dichloro-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)-N',N'-diethylethane-1,2-diamine
PubChem CID70357391
Molecular FormulaC19H24Cl2N4
Molecular Weight379.34 g/mol
Exact Mass378.14
IUPAC NameN-(13,14-dichloro-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1cc2c(nn1)-c1cc(Cl)c(Cl)cc1CCC2
InChIInChI=1S/C19H24Cl2N4/c1-3-25(4-2)9-8-22-18-11-14-7-5-6-13-10-16(20)17(21)12-15(13)19(14)24-23-18/h10-12H,3-9H2,1-2H3,(H,22,23)
InChIKeyUTPPWSMVKAQJPN-UHFFFAOYSA-N
XLogP4.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(13,14-dichloro-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)-N',N'-diethylethane-1,2-diamine with MolForge

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Related Compounds

N-(14-chloro-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-yl)-N',N'-diethylethane-1,2-diamine
CID 70357401
N-(14-chloro-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-yl)-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 70357400
14,15-dimethyl-N-(2-piperidin-1-ylethyl)-3,4-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaen-5-amine;dihydrochloride
CID 70357365
N',N'-diethyl-N-(6-methylpyridazin-3-yl)ethane-1,2-diamine
CID 61313304
4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80940577
N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine
CID 113400798
N-(6-chloropyridazin-3-yl)-N',N'-diethylpropane-1,3-diamine
CID 559472
N-(1-chloroisoquinolin-3-yl)-N',N'-diethylethane-1,2-diamine
CID 133381320
N',N'-diethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine
CID 79508860
N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-diethylethane-1,2-diamine
CID 81035871
N-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103721020
4-N-[2-(diethylamino)ethyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80769927

Frequently Asked Questions

What is the IUPAC name of N-(13,14-dichloro-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(13,14-dichloro-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)-N',N'-diethylethane-1,2-diamine (CID 70357391) is N-(13,14-dichloro-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(13,14-dichloro-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(13,14-dichloro-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1cc2c(nn1)-c1cc(Cl)c(Cl)cc1CCC2.
What is the InChIKey of N-(13,14-dichloro-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is UTPPWSMVKAQJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N4/c1-3-25(4-2)9-8-22-18-11-14-7-5-6-13-10-16(20)17(21)12-15(13)19(14)24-23-18/h10-12H,3-9H2,1-2H3,(H,22,23).
What are the key properties of N-(13,14-dichloro-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)-N',N'-diethylethane-1,2-diamine?
N-(13,14-dichloro-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 379.34 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(13,14-dichloro-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 70357391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).