N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]cyclopropanamine

C18H19N3 — CID 102914709

IUPACN-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]cyclopropanamine
SMILESc1ccc(Cn2ccc3cccc(CNC4CC4)c32)nc1
InChIInChI=1S/C18H19N3/c1-2-10-19-17(6-1)13-21-11-9-14-4-3-5-15(18(14)21)12-20-16-7-8-16/h1-6,9-11,16,20H,7-8,12-13H2
InChIKeySQXVVBPLTPSABQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.34
Rot. Bonds5

About N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]cyclopropanamine

N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]cyclopropanamine (PubChem CID 102914709) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]cyclopropanamine
PubChem CID102914709
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]cyclopropanamine
SMILESc1ccc(Cn2ccc3cccc(CNC4CC4)c32)nc1
InChIInChI=1S/C18H19N3/c1-2-10-19-17(6-1)13-21-11-9-14-4-3-5-15(18(14)21)12-20-16-7-8-16/h1-6,9-11,16,20H,7-8,12-13H2
InChIKeySQXVVBPLTPSABQ-UHFFFAOYSA-N
XLogP3.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]propan-1-amine
CID 102914247
[1-(pyridin-2-ylmethyl)indol-7-yl]methanol
CID 102911903
N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]cyclopropanamine
CID 102914869
N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66413007
5-[7-[(cyclopropylamino)methyl]indol-1-yl]pentan-1-ol
CID 102914739
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
N-[[2-(2-pyridin-2-ylethoxymethyl)phenyl]methyl]cyclopropanamine
CID 62457043
ethyl 2-[7-[(cyclopropylamino)methyl]indol-1-yl]acetate
CID 102914953
3-[7-[(cyclopropylamino)methyl]indol-1-yl]-N-ethylpropanamide
CID 102914922
N-[(2,3-dimethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 47052476
N-(3-indol-1-ylpropyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 75382409
N-[(1-butan-2-ylindol-7-yl)methyl]cyclopropanamine
CID 79444404

Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]cyclopropanamine (CID 102914709) is N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]cyclopropanamine is c1ccc(Cn2ccc3cccc(CNC4CC4)c32)nc1.
What is the InChIKey of N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]cyclopropanamine?
The InChIKey is SQXVVBPLTPSABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-10-19-17(6-1)13-21-11-9-14-4-3-5-15(18(14)21)12-20-16-7-8-16/h1-6,9-11,16,20H,7-8,12-13H2.
What are the key properties of N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]cyclopropanamine?
N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]cyclopropanamine has a molecular weight of 277.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]cyclopropanamine is sourced from PubChem (CID 102914709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).