N-butyl-2,3-dimethyloxolan-3-amine

C10H21NO — CID 103581148

IUPACN-butyl-2,3-dimethyloxolan-3-amine
SMILESCCCCNC1(C)CCOC1C
InChIInChI=1S/C10H21NO/c1-4-5-7-11-10(3)6-8-12-9(10)2/h9,11H,4-8H2,1-3H3
InChIKeyUIORSBOUUMTQNF-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.94
Rot. Bonds4

About N-butyl-2,3-dimethyloxolan-3-amine

N-butyl-2,3-dimethyloxolan-3-amine (PubChem CID 103581148) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-butyl-2,3-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-butyl-2,3-dimethyloxolan-3-amine
PubChem CID103581148
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-butyl-2,3-dimethyloxolan-3-amine
SMILESCCCCNC1(C)CCOC1C
InChIInChI=1S/C10H21NO/c1-4-5-7-11-10(3)6-8-12-9(10)2/h9,11H,4-8H2,1-3H3
InChIKeyUIORSBOUUMTQNF-UHFFFAOYSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.94
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-butyl-2,3-dimethyloxolan-3-amine?
The IUPAC name of N-butyl-2,3-dimethyloxolan-3-amine (CID 103581148) is N-butyl-2,3-dimethyloxolan-3-amine.
What is the SMILES notation for N-butyl-2,3-dimethyloxolan-3-amine?
The canonical SMILES for N-butyl-2,3-dimethyloxolan-3-amine is CCCCNC1(C)CCOC1C.
What is the InChIKey of N-butyl-2,3-dimethyloxolan-3-amine?
The InChIKey is UIORSBOUUMTQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-5-7-11-10(3)6-8-12-9(10)2/h9,11H,4-8H2,1-3H3.
What are the key properties of N-butyl-2,3-dimethyloxolan-3-amine?
N-butyl-2,3-dimethyloxolan-3-amine has a molecular weight of 171.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,3-dimethyloxolan-3-amine is sourced from PubChem (CID 103581148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).