N,N-diethyl-2-pyrido[4,3-b]indol-5-ylethanamine;hydrochloride

C17H22ClN3 — CID 54606871

IUPACN,N-diethyl-2-pyrido[4,3-b]indol-5-ylethanamine;hydrochloride
SMILESCCN(CC)CCn1c2ccccc2c2cnccc21.Cl
InChIInChI=1S/C17H21N3.ClH/c1-3-19(4-2)11-12-20-16-8-6-5-7-14(16)15-13-18-10-9-17(15)20;/h5-10,13H,3-4,11-12H2,1-2H3;1H
InChIKeyVIQMMGYPAROFPH-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.95
Rot. Bonds5

About N,N-diethyl-2-pyrido[4,3-b]indol-5-ylethanamine;hydrochloride

N,N-diethyl-2-pyrido[4,3-b]indol-5-ylethanamine;hydrochloride (PubChem CID 54606871) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is N,N-diethyl-2-pyrido[4,3-b]indol-5-ylethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-pyrido[4,3-b]indol-5-ylethanamine;hydrochloride
PubChem CID54606871
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC NameN,N-diethyl-2-pyrido[4,3-b]indol-5-ylethanamine;hydrochloride
SMILESCCN(CC)CCn1c2ccccc2c2cnccc21.Cl
InChIInChI=1S/C17H21N3.ClH/c1-3-19(4-2)11-12-20-16-8-6-5-7-14(16)15-13-18-10-9-17(15)20;/h5-10,13H,3-4,11-12H2,1-2H3;1H
InChIKeyVIQMMGYPAROFPH-UHFFFAOYSA-N
XLogP3.95
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-pyrido[4,3-b]indol-5-ylethanamine;hydrochloride?
The IUPAC name of N,N-diethyl-2-pyrido[4,3-b]indol-5-ylethanamine;hydrochloride (CID 54606871) is N,N-diethyl-2-pyrido[4,3-b]indol-5-ylethanamine;hydrochloride.
What is the SMILES notation for N,N-diethyl-2-pyrido[4,3-b]indol-5-ylethanamine;hydrochloride?
The canonical SMILES for N,N-diethyl-2-pyrido[4,3-b]indol-5-ylethanamine;hydrochloride is CCN(CC)CCn1c2ccccc2c2cnccc21.Cl.
What is the InChIKey of N,N-diethyl-2-pyrido[4,3-b]indol-5-ylethanamine;hydrochloride?
The InChIKey is VIQMMGYPAROFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3.ClH/c1-3-19(4-2)11-12-20-16-8-6-5-7-14(16)15-13-18-10-9-17(15)20;/h5-10,13H,3-4,11-12H2,1-2H3;1H.
What are the key properties of N,N-diethyl-2-pyrido[4,3-b]indol-5-ylethanamine;hydrochloride?
N,N-diethyl-2-pyrido[4,3-b]indol-5-ylethanamine;hydrochloride has a molecular weight of 303.84 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-pyrido[4,3-b]indol-5-ylethanamine;hydrochloride is sourced from PubChem (CID 54606871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).