11-[2-(diethylamino)ethyl]-N,N-dimethyl-7,8,9,10-tetrahydropyrido[3,2-a]carbazol-5-amine

C23H32N4 — CID 54752941

IUPAC11-[2-(diethylamino)ethyl]-N,N-dimethyl-7,8,9,10-tetrahydropyrido[3,2-a]carbazol-5-amine
SMILESCCN(CC)CCn1c2c(c3cc(N(C)C)c4ncccc4c31)CCCC2
InChIInChI=1S/C23H32N4/c1-5-26(6-2)14-15-27-20-12-8-7-10-17(20)19-16-21(25(3)4)22-18(23(19)27)11-9-13-24-22/h9,11,13,16H,5-8,10,12,14-15H2,1-4H3
InChIKeyAJPOKHSYPLXHEZ-UHFFFAOYSA-N
MW364.54 g/mol
LogP4.48
Rot. Bonds6

About 11-[2-(diethylamino)ethyl]-N,N-dimethyl-7,8,9,10-tetrahydropyrido[3,2-a]carbazol-5-amine

11-[2-(diethylamino)ethyl]-N,N-dimethyl-7,8,9,10-tetrahydropyrido[3,2-a]carbazol-5-amine (PubChem CID 54752941) has the molecular formula C23H32N4 and a molecular weight of 364.54 g/mol. Its IUPAC name is 11-[2-(diethylamino)ethyl]-N,N-dimethyl-7,8,9,10-tetrahydropyrido[3,2-a]carbazol-5-amine.

Molecular Properties

Compound Name11-[2-(diethylamino)ethyl]-N,N-dimethyl-7,8,9,10-tetrahydropyrido[3,2-a]carbazol-5-amine
PubChem CID54752941
Molecular FormulaC23H32N4
Molecular Weight364.54 g/mol
Exact Mass364.26
IUPAC Name11-[2-(diethylamino)ethyl]-N,N-dimethyl-7,8,9,10-tetrahydropyrido[3,2-a]carbazol-5-amine
SMILESCCN(CC)CCn1c2c(c3cc(N(C)C)c4ncccc4c31)CCCC2
InChIInChI=1S/C23H32N4/c1-5-26(6-2)14-15-27-20-12-8-7-10-17(20)19-16-21(25(3)4)22-18(23(19)27)11-9-13-24-22/h9,11,13,16H,5-8,10,12,14-15H2,1-4H3
InChIKeyAJPOKHSYPLXHEZ-UHFFFAOYSA-N
XLogP4.48
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 11-[2-(diethylamino)ethyl]-N,N-dimethyl-7,8,9,10-tetrahydropyrido[3,2-a]carbazol-5-amine?
The IUPAC name of 11-[2-(diethylamino)ethyl]-N,N-dimethyl-7,8,9,10-tetrahydropyrido[3,2-a]carbazol-5-amine (CID 54752941) is 11-[2-(diethylamino)ethyl]-N,N-dimethyl-7,8,9,10-tetrahydropyrido[3,2-a]carbazol-5-amine.
What is the SMILES notation for 11-[2-(diethylamino)ethyl]-N,N-dimethyl-7,8,9,10-tetrahydropyrido[3,2-a]carbazol-5-amine?
The canonical SMILES for 11-[2-(diethylamino)ethyl]-N,N-dimethyl-7,8,9,10-tetrahydropyrido[3,2-a]carbazol-5-amine is CCN(CC)CCn1c2c(c3cc(N(C)C)c4ncccc4c31)CCCC2.
What is the InChIKey of 11-[2-(diethylamino)ethyl]-N,N-dimethyl-7,8,9,10-tetrahydropyrido[3,2-a]carbazol-5-amine?
The InChIKey is AJPOKHSYPLXHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4/c1-5-26(6-2)14-15-27-20-12-8-7-10-17(20)19-16-21(25(3)4)22-18(23(19)27)11-9-13-24-22/h9,11,13,16H,5-8,10,12,14-15H2,1-4H3.
What are the key properties of 11-[2-(diethylamino)ethyl]-N,N-dimethyl-7,8,9,10-tetrahydropyrido[3,2-a]carbazol-5-amine?
11-[2-(diethylamino)ethyl]-N,N-dimethyl-7,8,9,10-tetrahydropyrido[3,2-a]carbazol-5-amine has a molecular weight of 364.54 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-(diethylamino)ethyl]-N,N-dimethyl-7,8,9,10-tetrahydropyrido[3,2-a]carbazol-5-amine is sourced from PubChem (CID 54752941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).