N-methyl-1-[1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropyl]methanamine

C17H19N3 — CID 116986002

IUPACN-methyl-1-[1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropyl]methanamine
SMILESCNCC1(c2ccc3c(c2)c2cnccc2n3C)CC1
InChIInChI=1S/C17H19N3/c1-18-11-17(6-7-17)12-3-4-15-13(9-12)14-10-19-8-5-16(14)20(15)2/h3-5,8-10,18H,6-7,11H2,1-2H3
InChIKeyRUQUUZWDPFBZKM-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.98
Rot. Bonds3

About N-methyl-1-[1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropyl]methanamine

N-methyl-1-[1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropyl]methanamine (PubChem CID 116986002) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-methyl-1-[1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropyl]methanamine
PubChem CID116986002
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-methyl-1-[1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropyl]methanamine
SMILESCNCC1(c2ccc3c(c2)c2cnccc2n3C)CC1
InChIInChI=1S/C17H19N3/c1-18-11-17(6-7-17)12-3-4-15-13(9-12)14-10-19-8-5-16(14)20(15)2/h3-5,8-10,18H,6-7,11H2,1-2H3
InChIKeyRUQUUZWDPFBZKM-UHFFFAOYSA-N
XLogP2.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropyl]methanamine?
The IUPAC name of N-methyl-1-[1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropyl]methanamine (CID 116986002) is N-methyl-1-[1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropyl]methanamine is CNCC1(c2ccc3c(c2)c2cnccc2n3C)CC1.
What is the InChIKey of N-methyl-1-[1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropyl]methanamine?
The InChIKey is RUQUUZWDPFBZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-18-11-17(6-7-17)12-3-4-15-13(9-12)14-10-19-8-5-16(14)20(15)2/h3-5,8-10,18H,6-7,11H2,1-2H3.
What are the key properties of N-methyl-1-[1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropyl]methanamine?
N-methyl-1-[1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropyl]methanamine has a molecular weight of 265.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropyl]methanamine is sourced from PubChem (CID 116986002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).