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

C7H17NO — CID 177282025

IUPAC(2S)-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-/m0/s1/i4D2
InChIKeyCMMWLDUVRGBDBR-UDFMRIIRSA-N
MW133.23 g/mol
LogP1.01
Rot. Bonds4

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

(2S)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine (PubChem CID 177282025) has the molecular formula C7H17NO and a molecular weight of 133.23 g/mol. Its IUPAC name is (2S)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name(2S)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine
PubChem CID177282025
Molecular FormulaC7H17NO
Molecular Weight133.23 g/mol
Exact Mass133.14
IUPAC Name(2S)-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-/m0/s1/i4D2
InChIKeyCMMWLDUVRGBDBR-UDFMRIIRSA-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

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Related Compounds

(2R)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine
CID 177282039
1-methoxy-6-methylheptan-2-amine
CID 62320003
(2S)-1-fluoro-3-methoxypropan-2-amine
CID 22789989
3-methoxy-1-N,1-N-bis(2-methylpropyl)propane-1,2-diamine
CID 81101510
(2S)-1-methoxy-3-propan-2-yloxypropan-2-amine
CID 164877074
1-chloro-3-methoxypropan-2-amine
CID 106180958
(2S,3S)-1,4-dimethoxybutane-2,3-diamine
CID 11051828
(3R)-3-amino-4-methoxybutan-1-ol
CID 95241115
(2R)-4-methoxy-3-methylbutan-2-amine
CID 134348590
1-methoxy-3-(3-methylbutylsulfinyl)propan-2-amine
CID 107760473
1-N-cyclopropyl-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine
CID 81101039
1-N-butan-2-yl-3-methoxy-1-N-methylpropane-1,2-diamine
CID 63761505

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine?
The IUPAC name of (2S)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine (CID 177282025) is (2S)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for (2S)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine?
The canonical SMILES for (2S)-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 (2S)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine?
The InChIKey is CMMWLDUVRGBDBR-UDFMRIIRSA-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-/m0/s1/i4D2.
What are the key properties of (2S)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine?
(2S)-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 (2S)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 177282025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).