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

C11H23NO — CID 65156456

IUPACN-[3-(oxolan-2-yl)propyl]butan-1-amine
SMILESCCCCNCCCC1CCCO1
InChIInChI=1S/C11H23NO/c1-2-3-8-12-9-4-6-11-7-5-10-13-11/h11-12H,2-10H2,1H3
InChIKeyVUBQMRDEJXQZLW-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.34
Rot. Bonds7

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

N-[3-(oxolan-2-yl)propyl]butan-1-amine (PubChem CID 65156456) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-[3-(oxolan-2-yl)propyl]butan-1-amine.

Molecular Properties

Compound NameN-[3-(oxolan-2-yl)propyl]butan-1-amine
PubChem CID65156456
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-[3-(oxolan-2-yl)propyl]butan-1-amine
SMILESCCCCNCCCC1CCCO1
InChIInChI=1S/C11H23NO/c1-2-3-8-12-9-4-6-11-7-5-10-13-11/h11-12H,2-10H2,1H3
InChIKeyVUBQMRDEJXQZLW-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.34
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 N-[3-(oxolan-2-yl)propyl]butan-1-amine?
The IUPAC name of N-[3-(oxolan-2-yl)propyl]butan-1-amine (CID 65156456) is N-[3-(oxolan-2-yl)propyl]butan-1-amine.
What is the SMILES notation for N-[3-(oxolan-2-yl)propyl]butan-1-amine?
The canonical SMILES for N-[3-(oxolan-2-yl)propyl]butan-1-amine is CCCCNCCCC1CCCO1.
What is the InChIKey of N-[3-(oxolan-2-yl)propyl]butan-1-amine?
The InChIKey is VUBQMRDEJXQZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-2-3-8-12-9-4-6-11-7-5-10-13-11/h11-12H,2-10H2,1H3.
What are the key properties of N-[3-(oxolan-2-yl)propyl]butan-1-amine?
N-[3-(oxolan-2-yl)propyl]butan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-2-yl)propyl]butan-1-amine is sourced from PubChem (CID 65156456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).