N',N'-diethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine

C18H27N3 — CID 65333850

IUPACN',N'-diethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C18H27N3/c1-3-21(4-2)13-12-19-17-11-7-9-15-14-8-5-6-10-16(14)20-18(15)17/h5-6,8,10,17,19-20H,3-4,7,9,11-13H2,1-2H3
InChIKeyOHROXPFXFRHNEY-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.48
Rot. Bonds6

About N',N'-diethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine

N',N'-diethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine (PubChem CID 65333850) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N',N'-diethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
PubChem CID65333850
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN',N'-diethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C18H27N3/c1-3-21(4-2)13-12-19-17-11-7-9-15-14-8-5-6-10-16(14)20-18(15)17/h5-6,8,10,17,19-20H,3-4,7,9,11-13H2,1-2H3
InChIKeyOHROXPFXFRHNEY-UHFFFAOYSA-N
XLogP3.48
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N',N'-diethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-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

CID 6736
CID 6736
CID 1150
CID 1150
CID 6089
CID 6089
CID 6854
CID 6854
CID 3071
CID 3071
CID 6890
CID 6890
CID 9287
CID 9287
CID 6088
CID 6088
CID 107838
CID 107838
CID 44668
CID 44668
CID 8367
CID 8367
CID 73484
CID 73484

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine (CID 65333850) is N',N'-diethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine is CCN(CC)CCNC1CCCc2c1[nH]c1ccccc21.
What is the InChIKey of N',N'-diethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine?
The InChIKey is OHROXPFXFRHNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-21(4-2)13-12-19-17-11-7-9-15-14-8-5-6-10-16(14)20-18(15)17/h5-6,8,10,17,19-20H,3-4,7,9,11-13H2,1-2H3.
What are the key properties of N',N'-diethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine?
N',N'-diethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine has a molecular weight of 285.44 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 65333850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).