(2S,3S)-4-N,2-dimethyl-4-propan-2-yloxolane-3,4-diamine

C9H20N2O — CID 167048189

IUPAC(2S,3S)-4-N,2-dimethyl-4-propan-2-yloxolane-3,4-diamine
SMILESCNC1(C(C)C)CO[C@@H](C)[C@H]1N
InChIInChI=1S/C9H20N2O/c1-6(2)9(11-4)5-12-7(3)8(9)10/h6-8,11H,5,10H2,1-4H3/t7-,8+,9?/m0/s1
InChIKeyMDPYOHJIFDMROS-ZQTLJVIJSA-N
MW172.27 g/mol
LogP0.35
Rot. Bonds2

About (2S,3S)-4-N,2-dimethyl-4-propan-2-yloxolane-3,4-diamine

(2S,3S)-4-N,2-dimethyl-4-propan-2-yloxolane-3,4-diamine (PubChem CID 167048189) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (2S,3S)-4-N,2-dimethyl-4-propan-2-yloxolane-3,4-diamine.

Molecular Properties

Compound Name(2S,3S)-4-N,2-dimethyl-4-propan-2-yloxolane-3,4-diamine
PubChem CID167048189
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(2S,3S)-4-N,2-dimethyl-4-propan-2-yloxolane-3,4-diamine
SMILESCNC1(C(C)C)CO[C@@H](C)[C@H]1N
InChIInChI=1S/C9H20N2O/c1-6(2)9(11-4)5-12-7(3)8(9)10/h6-8,11H,5,10H2,1-4H3/t7-,8+,9?/m0/s1
InChIKeyMDPYOHJIFDMROS-ZQTLJVIJSA-N
XLogP0.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4-N,2-dimethyl-4-propan-2-yloxolane-3,4-diamine?
The IUPAC name of (2S,3S)-4-N,2-dimethyl-4-propan-2-yloxolane-3,4-diamine (CID 167048189) is (2S,3S)-4-N,2-dimethyl-4-propan-2-yloxolane-3,4-diamine.
What is the SMILES notation for (2S,3S)-4-N,2-dimethyl-4-propan-2-yloxolane-3,4-diamine?
The canonical SMILES for (2S,3S)-4-N,2-dimethyl-4-propan-2-yloxolane-3,4-diamine is CNC1(C(C)C)CO[C@@H](C)[C@H]1N.
What is the InChIKey of (2S,3S)-4-N,2-dimethyl-4-propan-2-yloxolane-3,4-diamine?
The InChIKey is MDPYOHJIFDMROS-ZQTLJVIJSA-N. The full InChI is InChI=1S/C9H20N2O/c1-6(2)9(11-4)5-12-7(3)8(9)10/h6-8,11H,5,10H2,1-4H3/t7-,8+,9?/m0/s1.
What are the key properties of (2S,3S)-4-N,2-dimethyl-4-propan-2-yloxolane-3,4-diamine?
(2S,3S)-4-N,2-dimethyl-4-propan-2-yloxolane-3,4-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4-N,2-dimethyl-4-propan-2-yloxolane-3,4-diamine is sourced from PubChem (CID 167048189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).