1-(3aH-indol-3-yl)-N,N-dimethylmethanamine

C11H14N2 — CID 152743255

IUPAC1-(3aH-indol-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1=CN=C2C=CC=CC12
InChIInChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,10H,8H2,1-2H3
InChIKeyOPCOBBCNFGIOHW-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.63
Rot. Bonds2

About 1-(3aH-indol-3-yl)-N,N-dimethylmethanamine

1-(3aH-indol-3-yl)-N,N-dimethylmethanamine (PubChem CID 152743255) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-(3aH-indol-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(3aH-indol-3-yl)-N,N-dimethylmethanamine
PubChem CID152743255
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1-(3aH-indol-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1=CN=C2C=CC=CC12
InChIInChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,10H,8H2,1-2H3
InChIKeyOPCOBBCNFGIOHW-UHFFFAOYSA-N
XLogP1.63
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-ethylpiperidin-4-yl)-2H-indole
CID 57002424
12-Methyl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1(15),2,4,6,8,10-hexaene
CID 57306056
6-methyl-3,3a-dihydro-2H-indole
CID 59447031
2,3-Dimethyl-2,3-dihydropyrrolo[2,3-f]indole
CID 70084835
N-[(1-methyl-3a,7a-dihydroindol-3-yl)methyl]methanimine
CID 89213366
3-methyl-3aH-indole
CID 89410881
2-(2,3-dimethyl-6H-indol-6-yl)ethyl-trimethylazanium
CID 90422117
4,6,6a,7-tetrahydro-3H-pyrido[2,1-a]isoindol-5-ium
CID 91394282
6-Methyl-2,7-dihydropyrrolo[2,3-c]pyridine
CID 123364728
2-Methyl-3,4-dihydropyrido[3,4-b]indole
CID 124288570
5-(3,5-dimethyl-2H-pyrrol-4-yl)-1,3-dimethyl-2-[(Z)-3-methylpent-1-enyl]-2H-pyridine
CID 135294824
Tetrahydropyrrolo[2,3-f]indole
CID 136442566

Frequently Asked Questions

What is the IUPAC name of 1-(3aH-indol-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(3aH-indol-3-yl)-N,N-dimethylmethanamine (CID 152743255) is 1-(3aH-indol-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(3aH-indol-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(3aH-indol-3-yl)-N,N-dimethylmethanamine is CN(C)CC1=CN=C2C=CC=CC12.
What is the InChIKey of 1-(3aH-indol-3-yl)-N,N-dimethylmethanamine?
The InChIKey is OPCOBBCNFGIOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,10H,8H2,1-2H3.
What are the key properties of 1-(3aH-indol-3-yl)-N,N-dimethylmethanamine?
1-(3aH-indol-3-yl)-N,N-dimethylmethanamine has a molecular weight of 174.25 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3aH-indol-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 152743255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).