9-butyl-N-methylpyrido[3,4-b]indol-1-amine

C16H19N3 — CID 151947082

IUPAC9-butyl-N-methylpyrido[3,4-b]indol-1-amine
SMILESCCCCn1c2ccccc2c2ccnc(NC)c21
InChIInChI=1S/C16H19N3/c1-3-4-11-19-14-8-6-5-7-12(14)13-9-10-18-16(17-2)15(13)19/h5-10H,3-4,11H2,1-2H3,(H,17,18)
InChIKeyTVWJROCSRJXYIK-UHFFFAOYSA-N
MW253.35 g/mol
LogP4.03
Rot. Bonds4

About 9-butyl-N-methylpyrido[3,4-b]indol-1-amine

9-butyl-N-methylpyrido[3,4-b]indol-1-amine (PubChem CID 151947082) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 9-butyl-N-methylpyrido[3,4-b]indol-1-amine.

Molecular Properties

Compound Name9-butyl-N-methylpyrido[3,4-b]indol-1-amine
PubChem CID151947082
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name9-butyl-N-methylpyrido[3,4-b]indol-1-amine
SMILESCCCCn1c2ccccc2c2ccnc(NC)c21
InChIInChI=1S/C16H19N3/c1-3-4-11-19-14-8-6-5-7-12(14)13-9-10-18-16(17-2)15(13)19/h5-10H,3-4,11H2,1-2H3,(H,17,18)
InChIKeyTVWJROCSRJXYIK-UHFFFAOYSA-N
XLogP4.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N'-(9-butylpyrido[3,4-b]indol-1-yl)ethane-1,1-diamine
CID 141187470
9-hexylpyrido[3,4-b]indole-1-carbaldehyde
CID 141373632
1-methyl-9-[8-(1-methylpyrido[3,4-b]indol-9-yl)octyl]pyrido[3,4-b]indole
CID 71539374
N,N'-bis[(9-octylpyrido[3,4-b]indol-1-yl)methyl]butane-1,4-diamine;hydrochloride
CID 134130590
N-[(9-butylpyrido[3,4-b]indol-1-yl)methyl]-N',N'-diethylpropane-1,3-diamine;hydrochloride
CID 56666856
3,11,19-trioctyl-3,11,19-triazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 132584282
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
9-octylcarbazol-1-ol
CID 160567195
1-(6-methyl-3-pyridinyl)-9-[12-[1-(6-methyl-3-pyridinyl)pyrido[3,4-b]indol-9-yl]dodecyl]pyrido[3,4-b]indole
CID 71539238
benzene;9-octylcarbazole
CID 175067369
1-bromo-9-heptadecylcarbazole
CID 174836685

Frequently Asked Questions

What is the IUPAC name of 9-butyl-N-methylpyrido[3,4-b]indol-1-amine?
The IUPAC name of 9-butyl-N-methylpyrido[3,4-b]indol-1-amine (CID 151947082) is 9-butyl-N-methylpyrido[3,4-b]indol-1-amine.
What is the SMILES notation for 9-butyl-N-methylpyrido[3,4-b]indol-1-amine?
The canonical SMILES for 9-butyl-N-methylpyrido[3,4-b]indol-1-amine is CCCCn1c2ccccc2c2ccnc(NC)c21.
What is the InChIKey of 9-butyl-N-methylpyrido[3,4-b]indol-1-amine?
The InChIKey is TVWJROCSRJXYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-3-4-11-19-14-8-6-5-7-12(14)13-9-10-18-16(17-2)15(13)19/h5-10H,3-4,11H2,1-2H3,(H,17,18).
What are the key properties of 9-butyl-N-methylpyrido[3,4-b]indol-1-amine?
9-butyl-N-methylpyrido[3,4-b]indol-1-amine has a molecular weight of 253.35 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butyl-N-methylpyrido[3,4-b]indol-1-amine is sourced from PubChem (CID 151947082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).