2-[2-[(6,7-dichloro-9H-carbazol-3-yl)amino]ethyl]guanidine;ethane

C17H21Cl2N5 — CID 171793330

IUPAC2-[2-[(6,7-dichloro-9H-carbazol-3-yl)amino]ethyl]guanidine;ethane
SMILESCC.NC(N)=NCCNc1ccc2[nH]c3cc(Cl)c(Cl)cc3c2c1
InChIInChI=1S/C15H15Cl2N5.C2H6/c16-11-6-10-9-5-8(20-3-4-21-15(18)19)1-2-13(9)22-14(10)7-12(11)17;1-2/h1-2,5-7,20,22H,3-4H2,(H4,18,19,21);1-2H3
InChIKeyXGJWTUGQQWUHDY-UHFFFAOYSA-N
MW366.30 g/mol
LogP4.34
Rot. Bonds4

About 2-[2-[(6,7-dichloro-9H-carbazol-3-yl)amino]ethyl]guanidine;ethane

2-[2-[(6,7-dichloro-9H-carbazol-3-yl)amino]ethyl]guanidine;ethane (PubChem CID 171793330) has the molecular formula C17H21Cl2N5 and a molecular weight of 366.30 g/mol. Its IUPAC name is 2-[2-[(6,7-dichloro-9H-carbazol-3-yl)amino]ethyl]guanidine;ethane.

Molecular Properties

Compound Name2-[2-[(6,7-dichloro-9H-carbazol-3-yl)amino]ethyl]guanidine;ethane
PubChem CID171793330
Molecular FormulaC17H21Cl2N5
Molecular Weight366.30 g/mol
Exact Mass365.12
IUPAC Name2-[2-[(6,7-dichloro-9H-carbazol-3-yl)amino]ethyl]guanidine;ethane
SMILESCC.NC(N)=NCCNc1ccc2[nH]c3cc(Cl)c(Cl)cc3c2c1
InChIInChI=1S/C15H15Cl2N5.C2H6/c16-11-6-10-9-5-8(20-3-4-21-15(18)19)1-2-13(9)22-14(10)7-12(11)17;1-2/h1-2,5-7,20,22H,3-4H2,(H4,18,19,21);1-2H3
InChIKeyXGJWTUGQQWUHDY-UHFFFAOYSA-N
XLogP4.34
TPSA92.22 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 54.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[6-chloro-3-(2,4-dichloro-5-fluoroanilino)-9H-carbazol-1-yl]ethyl]guanidine;ethane
CID 171793421
2-[2-(3-bromoanilino)ethyl]guanidine;hydroiodide
CID 110004732
2-[[6-chloro-3-(3-chloro-4-methylanilino)-9H-carbazol-1-yl]methyl]guanidine
CID 171793368
3-N-(2-aminoethyl)-6-N-(5-chloro-4-methylcyclohexa-2,4-dien-1-yl)-9H-carbazole-3,6-diamine
CID 171794233
2-[2-(9H-carbazol-3-yl)ethyl]guanidine
CID 145315534
6,7-dichloro-N-(4-chlorophenyl)-1-[2-(4-methylanilino)ethyl]-9H-carbazol-3-amine;methanamine;methanimine
CID 171793962
4-(3,4-dichloroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061870
tert-butyl N-[N'-[2-[6,7-dichloro-3-(3,4-dichloroanilino)-9H-carbazol-1-yl]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 171793229
4-chloro-N-propylisoquinolin-6-amine
CID 145136240
2-chloro-N-[2-(diaminomethylideneamino)ethyl]benzamide;hydroiodide
CID 110918726
2-[2-[6-chloro-3-(1H-pyrazol-4-ylamino)-9H-carbazol-1-yl]ethyl]guanidine
CID 171793695
2-[2-(6-chloro-5-fluoro-1H-indol-3-yl)ethyl]guanidine
CID 134604088

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6,7-dichloro-9H-carbazol-3-yl)amino]ethyl]guanidine;ethane?
The IUPAC name of 2-[2-[(6,7-dichloro-9H-carbazol-3-yl)amino]ethyl]guanidine;ethane (CID 171793330) is 2-[2-[(6,7-dichloro-9H-carbazol-3-yl)amino]ethyl]guanidine;ethane.
What is the SMILES notation for 2-[2-[(6,7-dichloro-9H-carbazol-3-yl)amino]ethyl]guanidine;ethane?
The canonical SMILES for 2-[2-[(6,7-dichloro-9H-carbazol-3-yl)amino]ethyl]guanidine;ethane is CC.NC(N)=NCCNc1ccc2[nH]c3cc(Cl)c(Cl)cc3c2c1.
What is the InChIKey of 2-[2-[(6,7-dichloro-9H-carbazol-3-yl)amino]ethyl]guanidine;ethane?
The InChIKey is XGJWTUGQQWUHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N5.C2H6/c16-11-6-10-9-5-8(20-3-4-21-15(18)19)1-2-13(9)22-14(10)7-12(11)17;1-2/h1-2,5-7,20,22H,3-4H2,(H4,18,19,21);1-2H3.
What are the key properties of 2-[2-[(6,7-dichloro-9H-carbazol-3-yl)amino]ethyl]guanidine;ethane?
2-[2-[(6,7-dichloro-9H-carbazol-3-yl)amino]ethyl]guanidine;ethane has a molecular weight of 366.30 g/mol, XLogP of 4.34, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6,7-dichloro-9H-carbazol-3-yl)amino]ethyl]guanidine;ethane is sourced from PubChem (CID 171793330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).