2-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylbut-3-en-1-amine

C12H23NO — CID 102640364

IUPAC2-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CN)CC1CCC(C)(C)O1
InChIInChI=1S/C12H23NO/c1-5-12(4,9-13)8-10-6-7-11(2,3)14-10/h5,10H,1,6-9,13H2,2-4H3
InChIKeyPELSHLAJFCYVIK-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.49
Rot. Bonds4

About 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylbut-3-en-1-amine

2-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylbut-3-en-1-amine (PubChem CID 102640364) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylbut-3-en-1-amine.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylbut-3-en-1-amine
PubChem CID102640364
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CN)CC1CCC(C)(C)O1
InChIInChI=1S/C12H23NO/c1-5-12(4,9-13)8-10-6-7-11(2,3)14-10/h5,10H,1,6-9,13H2,2-4H3
InChIKeyPELSHLAJFCYVIK-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.49
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-Ethenyl-2-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 102640360
2-Methyl-2-(oxolan-2-ylmethyl)but-3-en-1-amine
CID 102640373
2-Methyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine
CID 102640424
2-ethenyl-N,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine
CID 102640538
2-[(5,5-dimethyloxolan-2-yl)methyl]-N,2-dimethylbut-3-en-1-amine
CID 102640543
N,2-dimethyl-2-(oxolan-2-ylmethyl)but-3-en-1-amine
CID 102640552
N,2-dimethyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine
CID 102640600
2-ethenyl-N-ethyl-2-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 102640707
2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-2-methylbut-3-en-1-amine
CID 102640712
N-ethyl-2-methyl-2-(oxolan-2-ylmethyl)but-3-en-1-amine
CID 102640720
2-ethenyl-2-methyl-5-(oxolan-2-yl)-N-propylpentan-1-amine
CID 102640871
2-methyl-2-(oxolan-2-ylmethyl)-N-propylbut-3-en-1-amine
CID 102640884

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylbut-3-en-1-amine?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylbut-3-en-1-amine (CID 102640364) is 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylbut-3-en-1-amine.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylbut-3-en-1-amine?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylbut-3-en-1-amine is C=CC(C)(CN)CC1CCC(C)(C)O1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylbut-3-en-1-amine?
The InChIKey is PELSHLAJFCYVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-12(4,9-13)8-10-6-7-11(2,3)14-10/h5,10H,1,6-9,13H2,2-4H3.
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylbut-3-en-1-amine?
2-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylbut-3-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylbut-3-en-1-amine is sourced from PubChem (CID 102640364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).