(1R)-1-[(4R,5R)-5-[(1R)-1-aminoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine

C9H20N2O2 — CID 11170697

IUPAC(1R)-1-[(4R,5R)-5-[(1R)-1-aminoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine
SMILESC[C@@H](N)[C@H]1OC(C)(C)O[C@@H]1[C@@H](C)N
InChIInChI=1S/C9H20N2O2/c1-5(10)7-8(6(2)11)13-9(3,4)12-7/h5-8H,10-11H2,1-4H3/t5-,6-,7-,8-/m1/s1
InChIKeyVSFQJOFFLSUEPG-WCTZXXKLSA-N
MW188.27 g/mol
LogP0.20
Rot. Bonds2

About (1R)-1-[(4R,5R)-5-[(1R)-1-aminoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine

(1R)-1-[(4R,5R)-5-[(1R)-1-aminoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine (PubChem CID 11170697) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (1R)-1-[(4R,5R)-5-[(1R)-1-aminoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[(4R,5R)-5-[(1R)-1-aminoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine
PubChem CID11170697
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name(1R)-1-[(4R,5R)-5-[(1R)-1-aminoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine
SMILESC[C@@H](N)[C@H]1OC(C)(C)O[C@@H]1[C@@H](C)N
InChIInChI=1S/C9H20N2O2/c1-5(10)7-8(6(2)11)13-9(3,4)12-7/h5-8H,10-11H2,1-4H3/t5-,6-,7-,8-/m1/s1
InChIKeyVSFQJOFFLSUEPG-WCTZXXKLSA-N
XLogP0.20
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[(4R,5R)-5-[(1R)-1-aminoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine with MolForge

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Related Compounds

(3aR,5R,6S,6aR)-5-[(1R)-1-aminoethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 11063515
(1R)-1-[(4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 6541365
(1S)-1-[(4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 688134
4-tert-butyl-2,2-dimethyl-5-(3-methylbutan-2-yl)-1,3-dioxolane
CID 167095514
(2S)-2-[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol
CID 131019398
(1R,2R,6R,7S,9R,10R)-4,4,7,12,12-pentamethyl-10-propan-2-yl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 101023569
(1R)-1-[(4R,5R)-5-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 142063838
(4R,5R)-5-[(1S)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 119087566
(3R,7S,9S)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol
CID 163285082
[(2R)-2-[(4R,5R)-5-[(1R)-2-acetyloxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl] acetate
CID 118615098
1-[5-(1-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyethanol
CID 18740051
[(1R)-1-[(4S,5R)-2,2-dimethyl-5-sulfanyl-1,3-dioxolan-4-yl]ethyl] methanesulfonate
CID 150278765

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(4R,5R)-5-[(1R)-1-aminoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine?
The IUPAC name of (1R)-1-[(4R,5R)-5-[(1R)-1-aminoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine (CID 11170697) is (1R)-1-[(4R,5R)-5-[(1R)-1-aminoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[(4R,5R)-5-[(1R)-1-aminoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[(4R,5R)-5-[(1R)-1-aminoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine is C[C@@H](N)[C@H]1OC(C)(C)O[C@@H]1[C@@H](C)N.
What is the InChIKey of (1R)-1-[(4R,5R)-5-[(1R)-1-aminoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine?
The InChIKey is VSFQJOFFLSUEPG-WCTZXXKLSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-5(10)7-8(6(2)11)13-9(3,4)12-7/h5-8H,10-11H2,1-4H3/t5-,6-,7-,8-/m1/s1.
What are the key properties of (1R)-1-[(4R,5R)-5-[(1R)-1-aminoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine?
(1R)-1-[(4R,5R)-5-[(1R)-1-aminoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine has a molecular weight of 188.27 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4R,5R)-5-[(1R)-1-aminoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine is sourced from PubChem (CID 11170697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).