(2R,3R)-N-(2,2-diethoxyethyl)-3-methylpentan-2-amine

C12H27NO2 — CID 97048981

IUPAC(2R,3R)-N-(2,2-diethoxyethyl)-3-methylpentan-2-amine
SMILESCCOC(CN[C@H](C)[C@H](C)CC)OCC
InChIInChI=1S/C12H27NO2/c1-6-10(4)11(5)13-9-12(14-7-2)15-8-3/h10-13H,6-9H2,1-5H3/t10-,11-/m1/s1
InChIKeyYSNDNBOPHYQZKT-GHMZBOCLSA-N
MW217.35 g/mol
LogP2.41
Rot. Bonds9

About (2R,3R)-N-(2,2-diethoxyethyl)-3-methylpentan-2-amine

(2R,3R)-N-(2,2-diethoxyethyl)-3-methylpentan-2-amine (PubChem CID 97048981) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is (2R,3R)-N-(2,2-diethoxyethyl)-3-methylpentan-2-amine.

Molecular Properties

Compound Name(2R,3R)-N-(2,2-diethoxyethyl)-3-methylpentan-2-amine
PubChem CID97048981
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name(2R,3R)-N-(2,2-diethoxyethyl)-3-methylpentan-2-amine
SMILESCCOC(CN[C@H](C)[C@H](C)CC)OCC
InChIInChI=1S/C12H27NO2/c1-6-10(4)11(5)13-9-12(14-7-2)15-8-3/h10-13H,6-9H2,1-5H3/t10-,11-/m1/s1
InChIKeyYSNDNBOPHYQZKT-GHMZBOCLSA-N
XLogP2.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2R,3R)-N-(2,2-diethoxyethyl)-3-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

N-(2,2-diethoxyethyl)-4-methylhexan-2-amine
CID 81094934
2-(2,2-diethoxyethylamino)butan-1-ol
CID 81093420
N-(2,2-diethoxyethyl)hexan-3-amine
CID 81094919
N-(2,2-diethoxyethyl)-4-methoxybutan-2-amine
CID 79547510
2,2-diethoxy-N-(2-methylpropoxy)ethanamine
CID 82714948
3-methyl-4-(3-methylpentan-2-ylamino)butan-1-ol
CID 66089447
N-(methoxymethyl)-3-methylpentan-2-amine
CID 143368694
N-[1-(4-bromophenyl)ethyl]-2,2-diethoxyethanamine
CID 79548377
N-(2,2-diethoxyethyl)-2-methyl-1-phenylpropan-1-amine
CID 79548467
3-methyl-N-(2-methylidenebutyl)pentan-2-amine
CID 66045931
N-(2,2-diethoxyethyl)-2-methoxypropan-1-amine
CID 102697934
1-ethoxypropyl hypoiodite
CID 88918187

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(2,2-diethoxyethyl)-3-methylpentan-2-amine?
The IUPAC name of (2R,3R)-N-(2,2-diethoxyethyl)-3-methylpentan-2-amine (CID 97048981) is (2R,3R)-N-(2,2-diethoxyethyl)-3-methylpentan-2-amine.
What is the SMILES notation for (2R,3R)-N-(2,2-diethoxyethyl)-3-methylpentan-2-amine?
The canonical SMILES for (2R,3R)-N-(2,2-diethoxyethyl)-3-methylpentan-2-amine is CCOC(CN[C@H](C)[C@H](C)CC)OCC.
What is the InChIKey of (2R,3R)-N-(2,2-diethoxyethyl)-3-methylpentan-2-amine?
The InChIKey is YSNDNBOPHYQZKT-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H27NO2/c1-6-10(4)11(5)13-9-12(14-7-2)15-8-3/h10-13H,6-9H2,1-5H3/t10-,11-/m1/s1.
What are the key properties of (2R,3R)-N-(2,2-diethoxyethyl)-3-methylpentan-2-amine?
(2R,3R)-N-(2,2-diethoxyethyl)-3-methylpentan-2-amine has a molecular weight of 217.35 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(2,2-diethoxyethyl)-3-methylpentan-2-amine is sourced from PubChem (CID 97048981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).