2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine

C11H23NO — CID 55135212

IUPAC2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine
SMILESCC(C)CNCCCC1CCCO1
InChIInChI=1S/C11H23NO/c1-10(2)9-12-7-3-5-11-6-4-8-13-11/h10-12H,3-9H2,1-2H3
InChIKeyCDAULJPJKPQWED-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds6

About 2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine

2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine (PubChem CID 55135212) 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-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine
PubChem CID55135212
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine
SMILESCC(C)CNCCCC1CCCO1
InChIInChI=1S/C11H23NO/c1-10(2)9-12-7-3-5-11-6-4-8-13-11/h10-12H,3-9H2,1-2H3
InChIKeyCDAULJPJKPQWED-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine (CID 55135212) is 2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine is CC(C)CNCCCC1CCCO1.
What is the InChIKey of 2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine?
The InChIKey is CDAULJPJKPQWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2)9-12-7-3-5-11-6-4-8-13-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine?
2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 6 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-1-amine is sourced from PubChem (CID 55135212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).