3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclobutan-1-amine

C11H19NO — CID 103394032

IUPAC3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclobutan-1-amine
SMILESCC1(C)CCC(C=C2CC(N)C2)O1
InChIInChI=1S/C11H19NO/c1-11(2)4-3-10(13-11)7-8-5-9(12)6-8/h7,9-10H,3-6,12H2,1-2H3/b8-7-
InChIKeyXUKCTBFSGFLXOE-FPLPWBNLSA-N
MW181.28 g/mol
LogP1.99
Rot. Bonds1

About 3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclobutan-1-amine

3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclobutan-1-amine (PubChem CID 103394032) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclobutan-1-amine
PubChem CID103394032
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclobutan-1-amine
SMILESCC1(C)CCC(C=C2CC(N)C2)O1
InChIInChI=1S/C11H19NO/c1-11(2)4-3-10(13-11)7-8-5-9(12)6-8/h7,9-10H,3-6,12H2,1-2H3/b8-7-
InChIKeyXUKCTBFSGFLXOE-FPLPWBNLSA-N
XLogP1.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.99
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

(E)-6-(oxolan-2-yl)oct-5-en-3-amine
CID 89074037
4-(Oxolan-2-ylmethylidene)cyclohexan-1-amine
CID 79879471
(3Z)-3-(oxolan-2-ylmethylidene)cyclohexan-1-amine
CID 79880456
3-(2,2,5,5-Tetramethyloxolan-3-ylidene)propan-1-amine
CID 79934487
(2Z)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine
CID 82838628
(2Z)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine
CID 82838629
3-Methyl-4-(oxolan-2-yl)but-3-en-2-amine
CID 103091798
3-Methyl-4-(5-methyloxolan-2-yl)but-3-en-2-amine
CID 103091941
4-[(5-Methyloxolan-2-yl)methylidene]cyclohexan-1-amine
CID 103143059
(3Z)-3-[(5-methyloxolan-2-yl)methylidene]cyclopentan-1-amine
CID 103143065
(3Z)-3-[(5-methyloxolan-2-yl)methylidene]cyclohexan-1-amine
CID 103143068
5-(5,5-Dimethyloxolan-2-yl)-4-(methoxymethyl)pent-4-en-1-amine
CID 103392229

Frequently Asked Questions

What is the IUPAC name of 3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclobutan-1-amine?
The IUPAC name of 3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclobutan-1-amine (CID 103394032) is 3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclobutan-1-amine.
What is the SMILES notation for 3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclobutan-1-amine?
The canonical SMILES for 3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclobutan-1-amine is CC1(C)CCC(C=C2CC(N)C2)O1.
What is the InChIKey of 3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclobutan-1-amine?
The InChIKey is XUKCTBFSGFLXOE-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H19NO/c1-11(2)4-3-10(13-11)7-8-5-9(12)6-8/h7,9-10H,3-6,12H2,1-2H3/b8-7-.
What are the key properties of 3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclobutan-1-amine?
3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclobutan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclobutan-1-amine is sourced from PubChem (CID 103394032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).