(2R,3S)-3-deuterio-4-methylpentan-2-amine

C6H15N — CID 100990746

IUPAC(2R,3S)-3-deuterio-4-methylpentan-2-amine
SMILES[2H][C@@H](C(C)C)[C@@H](C)N
InChIInChI=1S/C6H15N/c1-5(2)4-6(3)7/h5-6H,4,7H2,1-3H3/t6-/m1/s1/i4D/t4-,6+/m0
InChIKeyUNBMPKNTYKDYCG-JHHSRGDNSA-N
MW102.20 g/mol
LogP1.38
Rot. Bonds2

About (2R,3S)-3-deuterio-4-methylpentan-2-amine

(2R,3S)-3-deuterio-4-methylpentan-2-amine (PubChem CID 100990746) has the molecular formula C6H15N and a molecular weight of 102.20 g/mol. Its IUPAC name is (2R,3S)-3-deuterio-4-methylpentan-2-amine.

Molecular Properties

Compound Name(2R,3S)-3-deuterio-4-methylpentan-2-amine
PubChem CID100990746
Molecular FormulaC6H15N
Molecular Weight102.20 g/mol
Exact Mass102.13
IUPAC Name(2R,3S)-3-deuterio-4-methylpentan-2-amine
SMILES[2H][C@@H](C(C)C)[C@@H](C)N
InChIInChI=1S/C6H15N/c1-5(2)4-6(3)7/h5-6H,4,7H2,1-3H3/t6-/m1/s1/i4D/t4-,6+/m0
InChIKeyUNBMPKNTYKDYCG-JHHSRGDNSA-N
XLogP1.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.20
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R,3S)-3-deuterio-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

(2R)-3-deuterio-4-methylpentan-2-amine
CID 10534626
methyl (2R,3S)-2-amino-2,3-dideuterio-4-methylpentanoate;hydrochloride
CID 135890686
(2S)-propane-1,2-diamine
CID 642322
(5R)-hexane-2,5-diamine
CID 144618459
beryllium;hydride;propan-2-amine
CID 174791883
palladium;propane-1,2-diamine
CID 87255476
(2S)-1-iodopropan-2-amine
CID 89094739
butan-2-amine;(2R)-butan-2-amine;methane
CID 160926504
(2S)-1,1,1,3,3-pentadeuteriobutan-2-amine
CID 171382411
2-aminopropan-1-ol;hydrofluoride
CID 22617394
CID 169430456
CID 169430456
gold(3+);bis(propane-1,2-diamine);trichloride
CID 73456733

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-deuterio-4-methylpentan-2-amine?
The IUPAC name of (2R,3S)-3-deuterio-4-methylpentan-2-amine (CID 100990746) is (2R,3S)-3-deuterio-4-methylpentan-2-amine.
What is the SMILES notation for (2R,3S)-3-deuterio-4-methylpentan-2-amine?
The canonical SMILES for (2R,3S)-3-deuterio-4-methylpentan-2-amine is [2H][C@@H](C(C)C)[C@@H](C)N.
What is the InChIKey of (2R,3S)-3-deuterio-4-methylpentan-2-amine?
The InChIKey is UNBMPKNTYKDYCG-JHHSRGDNSA-N. The full InChI is InChI=1S/C6H15N/c1-5(2)4-6(3)7/h5-6H,4,7H2,1-3H3/t6-/m1/s1/i4D/t4-,6+/m0.
What are the key properties of (2R,3S)-3-deuterio-4-methylpentan-2-amine?
(2R,3S)-3-deuterio-4-methylpentan-2-amine has a molecular weight of 102.20 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-deuterio-4-methylpentan-2-amine is sourced from PubChem (CID 100990746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).