2-methyl-N-[3-(oxolan-2-yl)propyl]propan-2-amine

C11H23NO — CID 62550203

IUPAC2-methyl-N-[3-(oxolan-2-yl)propyl]propan-2-amine
SMILESCC(C)(C)NCCCC1CCCO1
InChIInChI=1S/C11H23NO/c1-11(2,3)12-8-4-6-10-7-5-9-13-10/h10,12H,4-9H2,1-3H3
InChIKeyHBTUMBRBEZSHIF-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.33
Rot. Bonds4

About 2-methyl-N-[3-(oxolan-2-yl)propyl]propan-2-amine

2-methyl-N-[3-(oxolan-2-yl)propyl]propan-2-amine (PubChem CID 62550203) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-methyl-N-[3-(oxolan-2-yl)propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(oxolan-2-yl)propyl]propan-2-amine
PubChem CID62550203
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-methyl-N-[3-(oxolan-2-yl)propyl]propan-2-amine
SMILESCC(C)(C)NCCCC1CCCO1
InChIInChI=1S/C11H23NO/c1-11(2,3)12-8-4-6-10-7-5-9-13-10/h10,12H,4-9H2,1-3H3
InChIKeyHBTUMBRBEZSHIF-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-N-[3-(oxolan-2-yl)propyl]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 2-methyl-N-[3-(oxolan-2-yl)propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-(oxolan-2-yl)propyl]propan-2-amine (CID 62550203) is 2-methyl-N-[3-(oxolan-2-yl)propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-(oxolan-2-yl)propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-(oxolan-2-yl)propyl]propan-2-amine is CC(C)(C)NCCCC1CCCO1.
What is the InChIKey of 2-methyl-N-[3-(oxolan-2-yl)propyl]propan-2-amine?
The InChIKey is HBTUMBRBEZSHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-11(2,3)12-8-4-6-10-7-5-9-13-10/h10,12H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-[3-(oxolan-2-yl)propyl]propan-2-amine?
2-methyl-N-[3-(oxolan-2-yl)propyl]propan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(oxolan-2-yl)propyl]propan-2-amine is sourced from PubChem (CID 62550203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).