3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine

C18H23N3 — CID 1403670

IUPAC3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine
SMILESCc1cc2c3ccccc3n(CCCN(C)C)c2c(C)n1
InChIInChI=1S/C18H23N3/c1-13-12-16-15-8-5-6-9-17(15)21(11-7-10-20(3)4)18(16)14(2)19-13/h5-6,8-9,12H,7,10-11H2,1-4H3
InChIKeyLHEQMTCMJWEKGO-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.76
Rot. Bonds4

About 3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine

3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine (PubChem CID 1403670) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine
PubChem CID1403670
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine
SMILESCc1cc2c3ccccc3n(CCCN(C)C)c2c(C)n1
InChIInChI=1S/C18H23N3/c1-13-12-16-15-8-5-6-9-17(15)21(11-7-10-20(3)4)18(16)14(2)19-13/h5-6,8-9,12H,7,10-11H2,1-4H3
InChIKeyLHEQMTCMJWEKGO-UHFFFAOYSA-N
XLogP3.76
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine (CID 1403670) is 3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine is Cc1cc2c3ccccc3n(CCCN(C)C)c2c(C)n1.
What is the InChIKey of 3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is LHEQMTCMJWEKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13-12-16-15-8-5-6-9-17(15)21(11-7-10-20(3)4)18(16)14(2)19-13/h5-6,8-9,12H,7,10-11H2,1-4H3.
What are the key properties of 3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine?
3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 1403670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).