2,2-dimethyl-3-[(2R)-oxolan-2-yl]propan-1-amine

C9H19NO — CID 94565549

IUPAC2,2-dimethyl-3-[(2R)-oxolan-2-yl]propan-1-amine
SMILESCC(C)(CN)C[C@H]1CCCO1
InChIInChI=1S/C9H19NO/c1-9(2,7-10)6-8-4-3-5-11-8/h8H,3-7,10H2,1-2H3/t8-/m1/s1
InChIKeyLBMOSOQVYIAPID-MRVPVSSYSA-N
MW157.26 g/mol
LogP1.54
Rot. Bonds3

About 2,2-dimethyl-3-[(2R)-oxolan-2-yl]propan-1-amine

2,2-dimethyl-3-[(2R)-oxolan-2-yl]propan-1-amine (PubChem CID 94565549) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2R)-oxolan-2-yl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2R)-oxolan-2-yl]propan-1-amine
PubChem CID94565549
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2,2-dimethyl-3-[(2R)-oxolan-2-yl]propan-1-amine
SMILESCC(C)(CN)C[C@H]1CCCO1
InChIInChI=1S/C9H19NO/c1-9(2,7-10)6-8-4-3-5-11-8/h8H,3-7,10H2,1-2H3/t8-/m1/s1
InChIKeyLBMOSOQVYIAPID-MRVPVSSYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2R)-oxolan-2-yl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-3-[(2R)-oxolan-2-yl]propan-1-amine (CID 94565549) is 2,2-dimethyl-3-[(2R)-oxolan-2-yl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-[(2R)-oxolan-2-yl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-[(2R)-oxolan-2-yl]propan-1-amine is CC(C)(CN)C[C@H]1CCCO1.
What is the InChIKey of 2,2-dimethyl-3-[(2R)-oxolan-2-yl]propan-1-amine?
The InChIKey is LBMOSOQVYIAPID-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2,7-10)6-8-4-3-5-11-8/h8H,3-7,10H2,1-2H3/t8-/m1/s1.
What are the key properties of 2,2-dimethyl-3-[(2R)-oxolan-2-yl]propan-1-amine?
2,2-dimethyl-3-[(2R)-oxolan-2-yl]propan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2R)-oxolan-2-yl]propan-1-amine is sourced from PubChem (CID 94565549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).