(3R,4R)-4-N-cyclopropyl-3-N,3-N-dimethyloxolane-3,4-diamine

C9H18N2O — CID 11147978

IUPAC(3R,4R)-4-N-cyclopropyl-3-N,3-N-dimethyloxolane-3,4-diamine
SMILESCN(C)[C@H]1COC[C@@H]1NC1CC1
InChIInChI=1S/C9H18N2O/c1-11(2)9-6-12-5-8(9)10-7-3-4-7/h7-10H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyZMBZXMCZIGNVHA-IUCAKERBSA-N
MW170.26 g/mol
LogP0.07
Rot. Bonds3

About (3R,4R)-4-N-cyclopropyl-3-N,3-N-dimethyloxolane-3,4-diamine

(3R,4R)-4-N-cyclopropyl-3-N,3-N-dimethyloxolane-3,4-diamine (PubChem CID 11147978) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (3R,4R)-4-N-cyclopropyl-3-N,3-N-dimethyloxolane-3,4-diamine.

Molecular Properties

Compound Name(3R,4R)-4-N-cyclopropyl-3-N,3-N-dimethyloxolane-3,4-diamine
PubChem CID11147978
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(3R,4R)-4-N-cyclopropyl-3-N,3-N-dimethyloxolane-3,4-diamine
SMILESCN(C)[C@H]1COC[C@@H]1NC1CC1
InChIInChI=1S/C9H18N2O/c1-11(2)9-6-12-5-8(9)10-7-3-4-7/h7-10H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyZMBZXMCZIGNVHA-IUCAKERBSA-N
XLogP0.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-N-cyclopropyl-3-N,3-N-dimethyloxolane-3,4-diamine?
The IUPAC name of (3R,4R)-4-N-cyclopropyl-3-N,3-N-dimethyloxolane-3,4-diamine (CID 11147978) is (3R,4R)-4-N-cyclopropyl-3-N,3-N-dimethyloxolane-3,4-diamine.
What is the SMILES notation for (3R,4R)-4-N-cyclopropyl-3-N,3-N-dimethyloxolane-3,4-diamine?
The canonical SMILES for (3R,4R)-4-N-cyclopropyl-3-N,3-N-dimethyloxolane-3,4-diamine is CN(C)[C@H]1COC[C@@H]1NC1CC1.
What is the InChIKey of (3R,4R)-4-N-cyclopropyl-3-N,3-N-dimethyloxolane-3,4-diamine?
The InChIKey is ZMBZXMCZIGNVHA-IUCAKERBSA-N. The full InChI is InChI=1S/C9H18N2O/c1-11(2)9-6-12-5-8(9)10-7-3-4-7/h7-10H,3-6H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (3R,4R)-4-N-cyclopropyl-3-N,3-N-dimethyloxolane-3,4-diamine?
(3R,4R)-4-N-cyclopropyl-3-N,3-N-dimethyloxolane-3,4-diamine has a molecular weight of 170.26 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-N-cyclopropyl-3-N,3-N-dimethyloxolane-3,4-diamine is sourced from PubChem (CID 11147978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).