3-(5-methylpyrido[4,3-b]indol-8-yl)cyclobutan-1-amine

C16H17N3 — CID 116985955

IUPAC3-(5-methylpyrido[4,3-b]indol-8-yl)cyclobutan-1-amine
SMILESCn1c2ccncc2c2cc(C3CC(N)C3)ccc21
InChIInChI=1S/C16H17N3/c1-19-15-3-2-10(11-6-12(17)7-11)8-13(15)14-9-18-5-4-16(14)19/h2-5,8-9,11-12H,6-7,17H2,1H3
InChIKeyPATUGTOMARZIFS-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.93
Rot. Bonds1

About 3-(5-methylpyrido[4,3-b]indol-8-yl)cyclobutan-1-amine

3-(5-methylpyrido[4,3-b]indol-8-yl)cyclobutan-1-amine (PubChem CID 116985955) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(5-methylpyrido[4,3-b]indol-8-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(5-methylpyrido[4,3-b]indol-8-yl)cyclobutan-1-amine
PubChem CID116985955
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name3-(5-methylpyrido[4,3-b]indol-8-yl)cyclobutan-1-amine
SMILESCn1c2ccncc2c2cc(C3CC(N)C3)ccc21
InChIInChI=1S/C16H17N3/c1-19-15-3-2-10(11-6-12(17)7-11)8-13(15)14-9-18-5-4-16(14)19/h2-5,8-9,11-12H,6-7,17H2,1H3
InChIKeyPATUGTOMARZIFS-UHFFFAOYSA-N
XLogP2.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methylpyrido[4,3-b]indol-8-yl)hydrazine
CID 116986023
2-(5-methylpyrido[4,3-b]indol-7-yl)cyclopropane-1-carboxylic acid
CID 116986188
5-methyl-7-piperidin-2-ylpyrido[4,3-b]indole
CID 116986169
2-(5-methylpyrido[4,3-b]indol-8-yl)propan-2-ol
CID 116985992
N-[(5-methylpyrido[4,3-b]indol-7-yl)methyl]cyclopropanamine
CID 116986165
1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropane-1-carbonitrile
CID 116985998
2-(5-methylpyrido[4,3-b]indol-8-yl)acetic acid
CID 116985962
3-(2-methoxy-4-pyridinyl)cyclobutan-1-amine
CID 118049997
N-methyl-1-[1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropyl]methanamine
CID 116986002
methyl 5-methylpyrido[4,3-b]indole-7-carboxylate
CID 116986202
(5-methylpyrido[4,3-b]indol-7-yl)methanol
CID 116986177
5-methyl-7-phenylpyrido[4,3-b]indole
CID 155583386

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylpyrido[4,3-b]indol-8-yl)cyclobutan-1-amine?
The IUPAC name of 3-(5-methylpyrido[4,3-b]indol-8-yl)cyclobutan-1-amine (CID 116985955) is 3-(5-methylpyrido[4,3-b]indol-8-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(5-methylpyrido[4,3-b]indol-8-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(5-methylpyrido[4,3-b]indol-8-yl)cyclobutan-1-amine is Cn1c2ccncc2c2cc(C3CC(N)C3)ccc21.
What is the InChIKey of 3-(5-methylpyrido[4,3-b]indol-8-yl)cyclobutan-1-amine?
The InChIKey is PATUGTOMARZIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-19-15-3-2-10(11-6-12(17)7-11)8-13(15)14-9-18-5-4-16(14)19/h2-5,8-9,11-12H,6-7,17H2,1H3.
What are the key properties of 3-(5-methylpyrido[4,3-b]indol-8-yl)cyclobutan-1-amine?
3-(5-methylpyrido[4,3-b]indol-8-yl)cyclobutan-1-amine has a molecular weight of 251.33 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrido[4,3-b]indol-8-yl)cyclobutan-1-amine is sourced from PubChem (CID 116985955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).