1-[5-(2-methylpropyl)oxolan-2-yl]propan-2-amine

C11H23NO — CID 130464357

IUPAC1-[5-(2-methylpropyl)oxolan-2-yl]propan-2-amine
SMILESCC(C)CC1CCC(CC(C)N)O1
InChIInChI=1S/C11H23NO/c1-8(2)6-10-4-5-11(13-10)7-9(3)12/h8-11H,4-7,12H2,1-3H3
InChIKeyHGFPQPPYATWIOX-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.32
Rot. Bonds4

About 1-[5-(2-methylpropyl)oxolan-2-yl]propan-2-amine

1-[5-(2-methylpropyl)oxolan-2-yl]propan-2-amine (PubChem CID 130464357) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-[5-(2-methylpropyl)oxolan-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(2-methylpropyl)oxolan-2-yl]propan-2-amine
PubChem CID130464357
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-[5-(2-methylpropyl)oxolan-2-yl]propan-2-amine
SMILESCC(C)CC1CCC(CC(C)N)O1
InChIInChI=1S/C11H23NO/c1-8(2)6-10-4-5-11(13-10)7-9(3)12/h8-11H,4-7,12H2,1-3H3
InChIKeyHGFPQPPYATWIOX-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-(2-methylpropyl)oxolan-2-yl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methylpropyl)oxolan-2-yl]propan-2-amine?
The IUPAC name of 1-[5-(2-methylpropyl)oxolan-2-yl]propan-2-amine (CID 130464357) is 1-[5-(2-methylpropyl)oxolan-2-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(2-methylpropyl)oxolan-2-yl]propan-2-amine?
The canonical SMILES for 1-[5-(2-methylpropyl)oxolan-2-yl]propan-2-amine is CC(C)CC1CCC(CC(C)N)O1.
What is the InChIKey of 1-[5-(2-methylpropyl)oxolan-2-yl]propan-2-amine?
The InChIKey is HGFPQPPYATWIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-8(2)6-10-4-5-11(13-10)7-9(3)12/h8-11H,4-7,12H2,1-3H3.
What are the key properties of 1-[5-(2-methylpropyl)oxolan-2-yl]propan-2-amine?
1-[5-(2-methylpropyl)oxolan-2-yl]propan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methylpropyl)oxolan-2-yl]propan-2-amine is sourced from PubChem (CID 130464357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).