N,N-dimethyl-1-(1H-pyrrolo[3,2-c]pyridin-5-ium-3-yl)methanamine

C10H14N3+ — CID 123270378

IUPACN,N-dimethyl-1-(1H-pyrrolo[3,2-c]pyridin-5-ium-3-yl)methanamine
SMILESCN(C)Cc1c[nH]c2cc[nH+]cc12
InChIInChI=1S/C10H13N3/c1-13(2)7-8-5-12-10-3-4-11-6-9(8)10/h3-6,12H,7H2,1-2H3/p+1
InChIKeyPRTHJMMZGTVKIB-UHFFFAOYSA-O
MW176.24 g/mol
LogP1.04
Rot. Bonds2

About N,N-dimethyl-1-(1H-pyrrolo[3,2-c]pyridin-5-ium-3-yl)methanamine

N,N-dimethyl-1-(1H-pyrrolo[3,2-c]pyridin-5-ium-3-yl)methanamine (PubChem CID 123270378) has the molecular formula C10H14N3+ and a molecular weight of 176.24 g/mol. Its IUPAC name is N,N-dimethyl-1-(1H-pyrrolo[3,2-c]pyridin-5-ium-3-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1H-pyrrolo[3,2-c]pyridin-5-ium-3-yl)methanamine
PubChem CID123270378
Molecular FormulaC10H14N3+
Molecular Weight176.24 g/mol
Exact Mass176.12
IUPAC NameN,N-dimethyl-1-(1H-pyrrolo[3,2-c]pyridin-5-ium-3-yl)methanamine
SMILESCN(C)Cc1c[nH]c2cc[nH+]cc12
InChIInChI=1S/C10H13N3/c1-13(2)7-8-5-12-10-3-4-11-6-9(8)10/h3-6,12H,7H2,1-2H3/p+1
InChIKeyPRTHJMMZGTVKIB-UHFFFAOYSA-O
XLogP1.04
TPSA33.17 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[5-[[3-[(dimethylamino)methyl]-1H-indol-5-yl]sulfonyl]-1H-indol-3-yl]-N,N-dimethylmethanamine
CID 12575718
N,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine
CID 18882
2-[3-[(dimethylamino)methyl]-1H-indol-5-yl]acetonitrile
CID 170886401
1-[2-(1H-indol-3-yl)phenyl]-N,N-dimethylmethanamine
CID 174403598
N-(1H-indol-3-ylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231228
4-N-(1H-indol-3-ylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79123075
1-[2-(1H-indol-3-ylsulfanyl)phenyl]-N,N-dimethylmethanamine
CID 11818392
N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
CID 142231865
3-[1H-indol-3-ylmethyl(methyl)amino]cyclobutane-1-carboxylic acid
CID 117042973
N'-(1H-indol-3-ylmethyl)-N,N,N'-trimethylethene-1,2-diamine
CID 66852692
1-[4-[(dimethylamino)methyl]-1H-pyrrol-3-yl]-N,N-dimethylmethanamine
CID 585859
N-[(5-bromo-1H-indol-3-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651174

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1H-pyrrolo[3,2-c]pyridin-5-ium-3-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(1H-pyrrolo[3,2-c]pyridin-5-ium-3-yl)methanamine (CID 123270378) is N,N-dimethyl-1-(1H-pyrrolo[3,2-c]pyridin-5-ium-3-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(1H-pyrrolo[3,2-c]pyridin-5-ium-3-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(1H-pyrrolo[3,2-c]pyridin-5-ium-3-yl)methanamine is CN(C)Cc1c[nH]c2cc[nH+]cc12.
What is the InChIKey of N,N-dimethyl-1-(1H-pyrrolo[3,2-c]pyridin-5-ium-3-yl)methanamine?
The InChIKey is PRTHJMMZGTVKIB-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13N3/c1-13(2)7-8-5-12-10-3-4-11-6-9(8)10/h3-6,12H,7H2,1-2H3/p+1.
What are the key properties of N,N-dimethyl-1-(1H-pyrrolo[3,2-c]pyridin-5-ium-3-yl)methanamine?
N,N-dimethyl-1-(1H-pyrrolo[3,2-c]pyridin-5-ium-3-yl)methanamine has a molecular weight of 176.24 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1H-pyrrolo[3,2-c]pyridin-5-ium-3-yl)methanamine is sourced from PubChem (CID 123270378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).