3-(2,2,5,5-tetramethyloxolan-3-ylidene)propan-1-amine

C11H21NO — CID 79934487

IUPAC3-(2,2,5,5-tetramethyloxolan-3-ylidene)propan-1-amine
SMILESCC1(C)CC(=CCCN)C(C)(C)O1
InChIInChI=1S/C11H21NO/c1-10(2)8-9(6-5-7-12)11(3,4)13-10/h6H,5,7-8,12H2,1-4H3
InChIKeyHEGRVZJFEHNIAK-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.24
Rot. Bonds2

About 3-(2,2,5,5-tetramethyloxolan-3-ylidene)propan-1-amine

3-(2,2,5,5-tetramethyloxolan-3-ylidene)propan-1-amine (PubChem CID 79934487) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-(2,2,5,5-tetramethyloxolan-3-ylidene)propan-1-amine.

Molecular Properties

Compound Name3-(2,2,5,5-tetramethyloxolan-3-ylidene)propan-1-amine
PubChem CID79934487
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-(2,2,5,5-tetramethyloxolan-3-ylidene)propan-1-amine
SMILESCC1(C)CC(=CCCN)C(C)(C)O1
InChIInChI=1S/C11H21NO/c1-10(2)8-9(6-5-7-12)11(3,4)13-10/h6H,5,7-8,12H2,1-4H3
InChIKeyHEGRVZJFEHNIAK-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2,5,5-Tetramethyloxolan-3-ylidene)ethanamine
CID 79934486
5-(5,5-Dimethyloxolan-2-yl)-4-(methoxymethyl)pent-4-en-1-amine
CID 103392229
2-(2,2,5,5-Tetramethyloxolan-3-ylidene)propan-1-amine
CID 103392271
3-(5,5-Dimethyloxolan-2-yl)-2-methylprop-2-en-1-amine
CID 103392358
3-(2,2,5,5-Tetramethyloxolan-3-ylidene)cyclobutan-1-amine
CID 103393882
3-[(5,5-Dimethyloxolan-2-yl)methylidene]cyclobutan-1-amine
CID 103394032
4-(2,2,5,5-Tetramethyloxolan-3-yl)pent-3-en-1-amine
CID 104940356
(3E)-3-(5,5-dimethyloxolan-3-ylidene)propan-1-amine
CID 133673028
(2E)-2-(5,5-dimethyloxolan-3-ylidene)ethanamine
CID 133674594
(2E)-2-(2,5-dimethyloxolan-3-ylidene)ethanamine
CID 133679372

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,5,5-tetramethyloxolan-3-ylidene)propan-1-amine?
The IUPAC name of 3-(2,2,5,5-tetramethyloxolan-3-ylidene)propan-1-amine (CID 79934487) is 3-(2,2,5,5-tetramethyloxolan-3-ylidene)propan-1-amine.
What is the SMILES notation for 3-(2,2,5,5-tetramethyloxolan-3-ylidene)propan-1-amine?
The canonical SMILES for 3-(2,2,5,5-tetramethyloxolan-3-ylidene)propan-1-amine is CC1(C)CC(=CCCN)C(C)(C)O1.
What is the InChIKey of 3-(2,2,5,5-tetramethyloxolan-3-ylidene)propan-1-amine?
The InChIKey is HEGRVZJFEHNIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2)8-9(6-5-7-12)11(3,4)13-10/h6H,5,7-8,12H2,1-4H3.
What are the key properties of 3-(2,2,5,5-tetramethyloxolan-3-ylidene)propan-1-amine?
3-(2,2,5,5-tetramethyloxolan-3-ylidene)propan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,5,5-tetramethyloxolan-3-ylidene)propan-1-amine is sourced from PubChem (CID 79934487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).