5,5-dimethyl-N-pent-3-ynyloxolan-3-amine

C11H19NO — CID 130884507

IUPAC5,5-dimethyl-N-pent-3-ynyloxolan-3-amine
SMILESCC#CCCNC1COC(C)(C)C1
InChIInChI=1S/C11H19NO/c1-4-5-6-7-12-10-8-11(2,3)13-9-10/h10,12H,6-9H2,1-3H3
InChIKeySRVKDVFGSCUJKL-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.56
Rot. Bonds3

About 5,5-dimethyl-N-pent-3-ynyloxolan-3-amine

5,5-dimethyl-N-pent-3-ynyloxolan-3-amine (PubChem CID 130884507) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 5,5-dimethyl-N-pent-3-ynyloxolan-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-pent-3-ynyloxolan-3-amine
PubChem CID130884507
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name5,5-dimethyl-N-pent-3-ynyloxolan-3-amine
SMILESCC#CCCNC1COC(C)(C)C1
InChIInChI=1S/C11H19NO/c1-4-5-6-7-12-10-8-11(2,3)13-9-10/h10,12H,6-9H2,1-3H3
InChIKeySRVKDVFGSCUJKL-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-pent-3-ynyloxolan-3-amine?
The IUPAC name of 5,5-dimethyl-N-pent-3-ynyloxolan-3-amine (CID 130884507) is 5,5-dimethyl-N-pent-3-ynyloxolan-3-amine.
What is the SMILES notation for 5,5-dimethyl-N-pent-3-ynyloxolan-3-amine?
The canonical SMILES for 5,5-dimethyl-N-pent-3-ynyloxolan-3-amine is CC#CCCNC1COC(C)(C)C1.
What is the InChIKey of 5,5-dimethyl-N-pent-3-ynyloxolan-3-amine?
The InChIKey is SRVKDVFGSCUJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-5-6-7-12-10-8-11(2,3)13-9-10/h10,12H,6-9H2,1-3H3.
What are the key properties of 5,5-dimethyl-N-pent-3-ynyloxolan-3-amine?
5,5-dimethyl-N-pent-3-ynyloxolan-3-amine has a molecular weight of 181.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-pent-3-ynyloxolan-3-amine is sourced from PubChem (CID 130884507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).