4-(5,5-dimethyloxolan-2-yl)-N-propan-2-ylbutan-1-amine

C13H27NO — CID 116524277

IUPAC4-(5,5-dimethyloxolan-2-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCCCC1CCC(C)(C)O1
InChIInChI=1S/C13H27NO/c1-11(2)14-10-6-5-7-12-8-9-13(3,4)15-12/h11-12,14H,5-10H2,1-4H3
InChIKeyDKISCMNRHMDWJQ-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.11
Rot. Bonds6

About 4-(5,5-dimethyloxolan-2-yl)-N-propan-2-ylbutan-1-amine

4-(5,5-dimethyloxolan-2-yl)-N-propan-2-ylbutan-1-amine (PubChem CID 116524277) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-(5,5-dimethyloxolan-2-yl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(5,5-dimethyloxolan-2-yl)-N-propan-2-ylbutan-1-amine
PubChem CID116524277
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-(5,5-dimethyloxolan-2-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCCCC1CCC(C)(C)O1
InChIInChI=1S/C13H27NO/c1-11(2)14-10-6-5-7-12-8-9-13(3,4)15-12/h11-12,14H,5-10H2,1-4H3
InChIKeyDKISCMNRHMDWJQ-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.11
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 4-(5,5-dimethyloxolan-2-yl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(5,5-dimethyloxolan-2-yl)-N-propan-2-ylbutan-1-amine (CID 116524277) is 4-(5,5-dimethyloxolan-2-yl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(5,5-dimethyloxolan-2-yl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(5,5-dimethyloxolan-2-yl)-N-propan-2-ylbutan-1-amine is CC(C)NCCCCC1CCC(C)(C)O1.
What is the InChIKey of 4-(5,5-dimethyloxolan-2-yl)-N-propan-2-ylbutan-1-amine?
The InChIKey is DKISCMNRHMDWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2)14-10-6-5-7-12-8-9-13(3,4)15-12/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 4-(5,5-dimethyloxolan-2-yl)-N-propan-2-ylbutan-1-amine?
4-(5,5-dimethyloxolan-2-yl)-N-propan-2-ylbutan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethyloxolan-2-yl)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 116524277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).