N,N,1,1,1,3,3,3-octadeuterio-2-[dideuterio(deuteriooxy)methyl]propan-2-amine

C4H11NO — CID 117064450

IUPACN,N,1,1,1,3,3,3-octadeuterio-2-[dideuterio(deuteriooxy)methyl]propan-2-amine
SMILES[2H]OC([2H])([2H])C(N([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3/i1D3,2D3,3D2,6D/hD2
InChIKeyCBTVGIZVANVGBH-BIGNBOPISA-N
MW100.21 g/mol
LogP-0.28
Rot. Bonds5

About N,N,1,1,1,3,3,3-octadeuterio-2-[dideuterio(deuteriooxy)methyl]propan-2-amine

N,N,1,1,1,3,3,3-octadeuterio-2-[dideuterio(deuteriooxy)methyl]propan-2-amine (PubChem CID 117064450) has the molecular formula C4H11NO and a molecular weight of 100.21 g/mol. Its IUPAC name is N,N,1,1,1,3,3,3-octadeuterio-2-[dideuterio(deuteriooxy)methyl]propan-2-amine.

Molecular Properties

Compound NameN,N,1,1,1,3,3,3-octadeuterio-2-[dideuterio(deuteriooxy)methyl]propan-2-amine
PubChem CID117064450
Molecular FormulaC4H11NO
Molecular Weight100.21 g/mol
Exact Mass100.15
IUPAC NameN,N,1,1,1,3,3,3-octadeuterio-2-[dideuterio(deuteriooxy)methyl]propan-2-amine
SMILES[2H]OC([2H])([2H])C(N([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3/i1D3,2D3,3D2,6D/hD2
InChIKeyCBTVGIZVANVGBH-BIGNBOPISA-N
XLogP-0.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.21
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 6503
2-Amino-2-methyl-1-propanol
CID 11807
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2-Amino-2-methyl-1,3-propanediol
CID 1531
2-Amino-2-ethyl-1,3-propanediol
CID 8282
Htris
CID 3777159
2-Amino-2-methyl-1-propanol hydrochloride
CID 76673
3-Amino-3-methylbutan-1-ol
CID 641000
Tris(hydroxymethyl-d3)amino-d2-methane
CID 16212934
2-Amino-2-methylbutan-1-ol
CID 10154017
(1-Aminocyclopropyl)methanol
CID 14146220
3-Amino-3-methylbutan-2-ol
CID 13319222

Frequently Asked Questions

What is the IUPAC name of N,N,1,1,1,3,3,3-octadeuterio-2-[dideuterio(deuteriooxy)methyl]propan-2-amine?
The IUPAC name of N,N,1,1,1,3,3,3-octadeuterio-2-[dideuterio(deuteriooxy)methyl]propan-2-amine (CID 117064450) is N,N,1,1,1,3,3,3-octadeuterio-2-[dideuterio(deuteriooxy)methyl]propan-2-amine.
What is the SMILES notation for N,N,1,1,1,3,3,3-octadeuterio-2-[dideuterio(deuteriooxy)methyl]propan-2-amine?
The canonical SMILES for N,N,1,1,1,3,3,3-octadeuterio-2-[dideuterio(deuteriooxy)methyl]propan-2-amine is [2H]OC([2H])([2H])C(N([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H].
What is the InChIKey of N,N,1,1,1,3,3,3-octadeuterio-2-[dideuterio(deuteriooxy)methyl]propan-2-amine?
The InChIKey is CBTVGIZVANVGBH-BIGNBOPISA-N. The full InChI is InChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3/i1D3,2D3,3D2,6D/hD2.
What are the key properties of N,N,1,1,1,3,3,3-octadeuterio-2-[dideuterio(deuteriooxy)methyl]propan-2-amine?
N,N,1,1,1,3,3,3-octadeuterio-2-[dideuterio(deuteriooxy)methyl]propan-2-amine has a molecular weight of 100.21 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,1,1,3,3,3-octadeuterio-2-[dideuterio(deuteriooxy)methyl]propan-2-amine is sourced from PubChem (CID 117064450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).