N-methyl-1-(5H-pyrido[4,3-b]indol-7-yl)methanamine

C13H13N3 — CID 116986026

IUPACN-methyl-1-(5H-pyrido[4,3-b]indol-7-yl)methanamine
SMILESCNCc1ccc2c(c1)[nH]c1ccncc12
InChIInChI=1S/C13H13N3/c1-14-7-9-2-3-10-11-8-15-5-4-12(11)16-13(10)6-9/h2-6,8,14,16H,7H2,1H3
InChIKeyVGJPKWLFFXFMQA-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.44
Rot. Bonds2

About N-methyl-1-(5H-pyrido[4,3-b]indol-7-yl)methanamine

N-methyl-1-(5H-pyrido[4,3-b]indol-7-yl)methanamine (PubChem CID 116986026) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is N-methyl-1-(5H-pyrido[4,3-b]indol-7-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5H-pyrido[4,3-b]indol-7-yl)methanamine
PubChem CID116986026
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC NameN-methyl-1-(5H-pyrido[4,3-b]indol-7-yl)methanamine
SMILESCNCc1ccc2c(c1)[nH]c1ccncc12
InChIInChI=1S/C13H13N3/c1-14-7-9-2-3-10-11-8-15-5-4-12(11)16-13(10)6-9/h2-6,8,14,16H,7H2,1H3
InChIKeyVGJPKWLFFXFMQA-UHFFFAOYSA-N
XLogP2.44
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5H-pyrido[4,3-b]indol-8-ylmethyl)ethanamine
CID 116985827
4-(5H-pyrido[4,3-b]indol-7-yl)but-1-en-2-ol
CID 142517237
N-methyl-5-(5H-pyrido[4,3-b]indol-7-yl)pyridin-2-amine
CID 147002776
6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 148886770
3-methyl-2-(5H-pyrido[4,3-b]indol-7-yl)butan-1-ol
CID 116986132
1-(5H-pyrido[4,3-b]indol-8-yl)propan-2-one
CID 116985878
1-piperidin-1-yl-3-(5H-pyrido[4,3-b]indol-7-yl)propan-1-one
CID 155584935
methyl 3-(5H-pyrido[4,3-b]indol-8-yl)propanoate
CID 116985874
7-(6-tert-butyl-3-pyridinyl)-5H-pyrido[4,3-b]indole
CID 134488720
7-(5-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole
CID 155585000
N-methyl-1-(3-methyl-1H-indol-6-yl)methanamine
CID 117205001
5-(9H-pyrido[2,3-b]indol-2-yl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 130353312

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5H-pyrido[4,3-b]indol-7-yl)methanamine?
The IUPAC name of N-methyl-1-(5H-pyrido[4,3-b]indol-7-yl)methanamine (CID 116986026) is N-methyl-1-(5H-pyrido[4,3-b]indol-7-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5H-pyrido[4,3-b]indol-7-yl)methanamine?
The canonical SMILES for N-methyl-1-(5H-pyrido[4,3-b]indol-7-yl)methanamine is CNCc1ccc2c(c1)[nH]c1ccncc12.
What is the InChIKey of N-methyl-1-(5H-pyrido[4,3-b]indol-7-yl)methanamine?
The InChIKey is VGJPKWLFFXFMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-14-7-9-2-3-10-11-8-15-5-4-12(11)16-13(10)6-9/h2-6,8,14,16H,7H2,1H3.
What are the key properties of N-methyl-1-(5H-pyrido[4,3-b]indol-7-yl)methanamine?
N-methyl-1-(5H-pyrido[4,3-b]indol-7-yl)methanamine has a molecular weight of 211.27 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5H-pyrido[4,3-b]indol-7-yl)methanamine is sourced from PubChem (CID 116986026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).