(E)-5-(5,5-dimethyloxolan-2-yl)pent-3-en-1-amine

C11H21NO — CID 116525385

IUPAC(E)-5-(5,5-dimethyloxolan-2-yl)pent-3-en-1-amine
SMILESCC1(C)CCC(C/C=C/CCN)O1
InChIInChI=1S/C11H21NO/c1-11(2)8-7-10(13-11)6-4-3-5-9-12/h3-4,10H,5-9,12H2,1-2H3/b4-3+
InChIKeyFQPGUCRRQIETSX-ONEGZZNKSA-N
MW183.29 g/mol
LogP2.24
Rot. Bonds4

About (E)-5-(5,5-dimethyloxolan-2-yl)pent-3-en-1-amine

(E)-5-(5,5-dimethyloxolan-2-yl)pent-3-en-1-amine (PubChem CID 116525385) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (E)-5-(5,5-dimethyloxolan-2-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-5-(5,5-dimethyloxolan-2-yl)pent-3-en-1-amine
PubChem CID116525385
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(E)-5-(5,5-dimethyloxolan-2-yl)pent-3-en-1-amine
SMILESCC1(C)CCC(C/C=C/CCN)O1
InChIInChI=1S/C11H21NO/c1-11(2)8-7-10(13-11)6-4-3-5-9-12/h3-4,10H,5-9,12H2,1-2H3/b4-3+
InChIKeyFQPGUCRRQIETSX-ONEGZZNKSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 116521389
1-(5,5-dimethyloxolan-2-yl)butan-2-amine
CID 116524943
N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propylethane-1,2-diamine
CID 116520960
5-(3-chloro-2-methylpropyl)-2,2-dimethyloxolane
CID 116525177
N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 116520932
2-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-N-methylpropane-1,2-diamine
CID 116524100
[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methanamine
CID 116520993
3-(5,5-dimethyloxolan-2-yl)propan-1-ol
CID 116523847
N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 116520965
1-(5,5-dimethyloxolan-2-yl)-N-ethylpropan-2-amine
CID 116524133
(5S)-5-(isothiocyanatomethyl)-2,2-dimethyloxolane
CID 134535251
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylpropan-2-amine
CID 116521163

Frequently Asked Questions

What is the IUPAC name of (E)-5-(5,5-dimethyloxolan-2-yl)pent-3-en-1-amine?
The IUPAC name of (E)-5-(5,5-dimethyloxolan-2-yl)pent-3-en-1-amine (CID 116525385) is (E)-5-(5,5-dimethyloxolan-2-yl)pent-3-en-1-amine.
What is the SMILES notation for (E)-5-(5,5-dimethyloxolan-2-yl)pent-3-en-1-amine?
The canonical SMILES for (E)-5-(5,5-dimethyloxolan-2-yl)pent-3-en-1-amine is CC1(C)CCC(C/C=C/CCN)O1.
What is the InChIKey of (E)-5-(5,5-dimethyloxolan-2-yl)pent-3-en-1-amine?
The InChIKey is FQPGUCRRQIETSX-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2)8-7-10(13-11)6-4-3-5-9-12/h3-4,10H,5-9,12H2,1-2H3/b4-3+.
What are the key properties of (E)-5-(5,5-dimethyloxolan-2-yl)pent-3-en-1-amine?
(E)-5-(5,5-dimethyloxolan-2-yl)pent-3-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(5,5-dimethyloxolan-2-yl)pent-3-en-1-amine is sourced from PubChem (CID 116525385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).