(4,5,6,7-tetradeuterio-1H-indol-3-yl)methanamine

C9H10N2 — CID 169442467

IUPAC(4,5,6,7-tetradeuterio-1H-indol-3-yl)methanamine
SMILES[2H]c1c([2H])c([2H])c2c(CN)c[nH]c2c1[2H]
InChIInChI=1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2/i1D,2D,3D,4D
InChIKeyJXYGLMATGAAIBU-RHQRLBAQSA-N
MW150.22 g/mol
LogP1.63
Rot. Bonds1

About (4,5,6,7-tetradeuterio-1H-indol-3-yl)methanamine

(4,5,6,7-tetradeuterio-1H-indol-3-yl)methanamine (PubChem CID 169442467) has the molecular formula C9H10N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (4,5,6,7-tetradeuterio-1H-indol-3-yl)methanamine.

Molecular Properties

Compound Name(4,5,6,7-tetradeuterio-1H-indol-3-yl)methanamine
PubChem CID169442467
Molecular FormulaC9H10N2
Molecular Weight150.22 g/mol
Exact Mass150.11
IUPAC Name(4,5,6,7-tetradeuterio-1H-indol-3-yl)methanamine
SMILES[2H]c1c([2H])c([2H])c2c(CN)c[nH]c2c1[2H]
InChIInChI=1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2/i1D,2D,3D,4D
InChIKeyJXYGLMATGAAIBU-RHQRLBAQSA-N
XLogP1.63
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4,5,6,7-tetradeuterio-3-(2-nitroethyl)-1H-indole
CID 24751553
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033
(2R)-2-amino-3-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)propanoic acid
CID 58478580
1,1-dideuterio-N,N-dimethyl-2-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)ethanamine
CID 163933094
(5-bromo-6-methoxy-1H-indol-3-yl)methanamine
CID 83901054
3-(aminomethyl)-5-methoxy-1H-indol-6-ol
CID 83877998
(3-ethyl-1H-indol-6-yl)methanamine
CID 115014328
(4,5,7-trifluoro-1H-indol-3-yl)methanamine
CID 165442670
3-(aminomethyl)-7-fluoro-1H-quinolin-4-one
CID 82504898
[3-(methylaminomethyl)-1H-indol-6-yl]methanamine
CID 117178238
[6-[(3Z)-penta-1,3-dien-2-yl]-1H-indol-3-yl]methanamine
CID 166911351
(7-bromo-5-fluoro-1H-indol-3-yl)methanamine
CID 83899533

Frequently Asked Questions

What is the IUPAC name of (4,5,6,7-tetradeuterio-1H-indol-3-yl)methanamine?
The IUPAC name of (4,5,6,7-tetradeuterio-1H-indol-3-yl)methanamine (CID 169442467) is (4,5,6,7-tetradeuterio-1H-indol-3-yl)methanamine.
What is the SMILES notation for (4,5,6,7-tetradeuterio-1H-indol-3-yl)methanamine?
The canonical SMILES for (4,5,6,7-tetradeuterio-1H-indol-3-yl)methanamine is [2H]c1c([2H])c([2H])c2c(CN)c[nH]c2c1[2H].
What is the InChIKey of (4,5,6,7-tetradeuterio-1H-indol-3-yl)methanamine?
The InChIKey is JXYGLMATGAAIBU-RHQRLBAQSA-N. The full InChI is InChI=1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2/i1D,2D,3D,4D.
What are the key properties of (4,5,6,7-tetradeuterio-1H-indol-3-yl)methanamine?
(4,5,6,7-tetradeuterio-1H-indol-3-yl)methanamine has a molecular weight of 150.22 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5,6,7-tetradeuterio-1H-indol-3-yl)methanamine is sourced from PubChem (CID 169442467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).