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

C19H25ClN4 — CID 70357401

IUPACN-(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
SMILESCCN(CC)CCNc1cc2c(nn1)-c1cc(Cl)ccc1CCC2
InChIInChI=1S/C19H25ClN4/c1-3-24(4-2)11-10-21-18-12-15-7-5-6-14-8-9-16(20)13-17(14)19(15)23-22-18/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,21,22)
InChIKeyVOUSQIVOGBTLTO-UHFFFAOYSA-N
MW344.89 g/mol
LogP4.04
Rot. Bonds6

About 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

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 (PubChem CID 70357401) has the molecular formula C19H25ClN4 and a molecular weight of 344.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID70357401
Molecular FormulaC19H25ClN4
Molecular Weight344.89 g/mol
Exact Mass344.18
IUPAC NameN-(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
SMILESCCN(CC)CCNc1cc2c(nn1)-c1cc(Cl)ccc1CCC2
InChIInChI=1S/C19H25ClN4/c1-3-24(4-2)11-10-21-18-12-15-7-5-6-14-8-9-16(20)13-17(14)19(15)23-22-18/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,21,22)
InChIKeyVOUSQIVOGBTLTO-UHFFFAOYSA-N
XLogP4.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;dihydrochloride
CID 70357400
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
13-chloro-5-ethyl-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene
CID 70866585
N',N'-diethyl-N-(6-methylpyridazin-3-yl)ethane-1,2-diamine
CID 61313304
N-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-diethylethane-1,2-diamine
CID 90671337
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
8-methoxy-N-propyl-5,6-dihydrobenzo[h]cinnolin-3-amine
CID 62783867
2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]pyrimidine-2,4-diamine
CID 91441465
4-N-(4-chlorophenyl)-2-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
CID 158895162
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
2-N,9-N-bis[2-(diethylamino)ethyl]-1,10-phenanthroline-2,9-diamine
CID 100984113

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CC)CCNc1cc2c(nn1)-c1cc(Cl)ccc1CCC2.
What is the InChIKey of 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?
The InChIKey is VOUSQIVOGBTLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4/c1-3-24(4-2)11-10-21-18-12-15-7-5-6-14-8-9-16(20)13-17(14)19(15)23-22-18/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,21,22).
What are the key properties of 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?
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 has a molecular weight of 344.89 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 70357401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).