N',N'-diethyl-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine

C19H29N3 — CID 2882004

IUPACN',N'-diethyl-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNC1CCCc2c1[nH]c1ccc(C)cc21
InChIInChI=1S/C19H29N3/c1-4-22(5-2)12-11-20-18-8-6-7-15-16-13-14(3)9-10-17(16)21-19(15)18/h9-10,13,18,20-21H,4-8,11-12H2,1-3H3
InChIKeyATSUAZDYAGLGCM-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.79
Rot. Bonds6

About N',N'-diethyl-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine

N',N'-diethyl-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine (PubChem CID 2882004) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is N',N'-diethyl-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
PubChem CID2882004
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC NameN',N'-diethyl-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNC1CCCc2c1[nH]c1ccc(C)cc21
InChIInChI=1S/C19H29N3/c1-4-22(5-2)12-11-20-18-8-6-7-15-16-13-14(3)9-10-17(16)21-19(15)18/h9-10,13,18,20-21H,4-8,11-12H2,1-3H3
InChIKeyATSUAZDYAGLGCM-UHFFFAOYSA-N
XLogP3.79
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine (CID 2882004) is N',N'-diethyl-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine is CCN(CC)CCNC1CCCc2c1[nH]c1ccc(C)cc21.
What is the InChIKey of N',N'-diethyl-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine?
The InChIKey is ATSUAZDYAGLGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-4-22(5-2)12-11-20-18-8-6-7-15-16-13-14(3)9-10-17(16)21-19(15)18/h9-10,13,18,20-21H,4-8,11-12H2,1-3H3.
What are the key properties of N',N'-diethyl-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine?
N',N'-diethyl-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine has a molecular weight of 299.46 g/mol, XLogP of 3.79, 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-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 2882004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).