(2R)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine

C7H17NO — CID 177282039

IUPAC(2R)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine
SMILES[2H]C([2H])(C(C)C)[C@@H](N)COC
InChIInChI=1S/C7H17NO/c1-6(2)4-7(8)5-9-3/h6-7H,4-5,8H2,1-3H3/t7-/m1/s1/i4D2
InChIKeyCMMWLDUVRGBDBR-OYNDKXPVSA-N
MW133.23 g/mol
LogP1.01
Rot. Bonds4

About (2R)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine

(2R)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine (PubChem CID 177282039) has the molecular formula C7H17NO and a molecular weight of 133.23 g/mol. Its IUPAC name is (2R)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name(2R)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine
PubChem CID177282039
Molecular FormulaC7H17NO
Molecular Weight133.23 g/mol
Exact Mass133.14
IUPAC Name(2R)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine
SMILES[2H]C([2H])(C(C)C)[C@@H](N)COC
InChIInChI=1S/C7H17NO/c1-6(2)4-7(8)5-9-3/h6-7H,4-5,8H2,1-3H3/t7-/m1/s1/i4D2
InChIKeyCMMWLDUVRGBDBR-OYNDKXPVSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.23
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methoxy-3-methylbutan-2-amine
CID 12839819
(S)-1-isobutyl-2-methoxyethylamine
CID 13140128
1-Ethoxy-3-methylbutan-2-amine
CID 45074954
1-Cyclopropyl-2-methoxyethan-1-amine
CID 53414987
2-Methoxy-4-methylpentan-1-amine
CID 66071962
(S)-leucinol(1+)
CID 6950464
(S)-1-Methoxymethyl-2-methyl-propylamine
CID 10866313
(1S)-1-cyclopropyl-2-methoxyethan-1-amine
CID 55293429
(2R)-1-ethoxy-4-methylpentan-2-amine
CID 57790395
(2S)-4-fluoro-1-methoxy-4-methylpentan-2-amine
CID 59767788
(2-Amino-4-methylpentyl) hypofluorite
CID 144939849
1-(Difluoromethoxy)-4-methylpentan-2-amine
CID 84717209

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine?
The IUPAC name of (2R)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine (CID 177282039) is (2R)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for (2R)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine?
The canonical SMILES for (2R)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine is [2H]C([2H])(C(C)C)[C@@H](N)COC.
What is the InChIKey of (2R)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine?
The InChIKey is CMMWLDUVRGBDBR-OYNDKXPVSA-N. The full InChI is InChI=1S/C7H17NO/c1-6(2)4-7(8)5-9-3/h6-7H,4-5,8H2,1-3H3/t7-/m1/s1/i4D2.
What are the key properties of (2R)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine?
(2R)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine has a molecular weight of 133.23 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 177282039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).