(2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxybutan-2-amine

C10H19N3O — CID 70701321

IUPAC(2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxybutan-2-amine
SMILESC[C@H](CCOc1nccn1C)N(C)C
InChIInChI=1S/C10H19N3O/c1-9(12(2)3)5-8-14-10-11-6-7-13(10)4/h6-7,9H,5,8H2,1-4H3/t9-/m1/s1
InChIKeyVPQCJEWNIYWNLE-SECBINFHSA-N
MW197.28 g/mol
LogP1.14
Rot. Bonds5

About (2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxybutan-2-amine

(2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxybutan-2-amine (PubChem CID 70701321) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxybutan-2-amine.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxybutan-2-amine
PubChem CID70701321
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxybutan-2-amine
SMILESC[C@H](CCOc1nccn1C)N(C)C
InChIInChI=1S/C10H19N3O/c1-9(12(2)3)5-8-14-10-11-6-7-13(10)4/h6-7,9H,5,8H2,1-4H3/t9-/m1/s1
InChIKeyVPQCJEWNIYWNLE-SECBINFHSA-N
XLogP1.14
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxybutan-2-amine?
The IUPAC name of (2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxybutan-2-amine (CID 70701321) is (2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxybutan-2-amine.
What is the SMILES notation for (2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxybutan-2-amine?
The canonical SMILES for (2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxybutan-2-amine is C[C@H](CCOc1nccn1C)N(C)C.
What is the InChIKey of (2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxybutan-2-amine?
The InChIKey is VPQCJEWNIYWNLE-SECBINFHSA-N. The full InChI is InChI=1S/C10H19N3O/c1-9(12(2)3)5-8-14-10-11-6-7-13(10)4/h6-7,9H,5,8H2,1-4H3/t9-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxybutan-2-amine?
(2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxybutan-2-amine has a molecular weight of 197.28 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxybutan-2-amine is sourced from PubChem (CID 70701321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).