3-methyl-1-(2,4,5-trimethyloxolan-3-yl)but-3-en-1-amine

C12H23NO — CID 105004282

IUPAC3-methyl-1-(2,4,5-trimethyloxolan-3-yl)but-3-en-1-amine
SMILESC=C(C)CC(N)C1C(C)OC(C)C1C
InChIInChI=1S/C12H23NO/c1-7(2)6-11(13)12-8(3)9(4)14-10(12)5/h8-12H,1,6,13H2,2-5H3
InChIKeyTWKJRSPIHKGNNT-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.34
Rot. Bonds3

About 3-methyl-1-(2,4,5-trimethyloxolan-3-yl)but-3-en-1-amine

3-methyl-1-(2,4,5-trimethyloxolan-3-yl)but-3-en-1-amine (PubChem CID 105004282) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-methyl-1-(2,4,5-trimethyloxolan-3-yl)but-3-en-1-amine.

Molecular Properties

Compound Name3-methyl-1-(2,4,5-trimethyloxolan-3-yl)but-3-en-1-amine
PubChem CID105004282
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-methyl-1-(2,4,5-trimethyloxolan-3-yl)but-3-en-1-amine
SMILESC=C(C)CC(N)C1C(C)OC(C)C1C
InChIInChI=1S/C12H23NO/c1-7(2)6-11(13)12-8(3)9(4)14-10(12)5/h8-12H,1,6,13H2,2-5H3
InChIKeyTWKJRSPIHKGNNT-UHFFFAOYSA-N
XLogP2.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.34
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

1-(3,4,5-Trimethyloxolan-2-yl)propan-2-amine
CID 163557055
4-Methyl-3-(oxolan-2-ylmethyl)pentan-2-amine
CID 62913992
Cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156145
1-(cyclopenten-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156148
Cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156793
1-(cyclohexen-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156796
1-(Oxolan-3-yl)hex-5-en-1-amine
CID 65330238
3-Methylidene-1-(oxolan-3-yl)pentan-1-amine
CID 66037812
N-methyl-3-methylidene-1-(oxolan-3-yl)pentan-1-amine
CID 66037813
N-ethyl-3-methylidene-1-(oxolan-3-yl)pentan-1-amine
CID 66037814
3-methylidene-1-(oxolan-3-yl)-N-propylpentan-1-amine
CID 66038048
3-Methylidene-1-(oxan-4-yl)pentan-1-amine
CID 66038049

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2,4,5-trimethyloxolan-3-yl)but-3-en-1-amine?
The IUPAC name of 3-methyl-1-(2,4,5-trimethyloxolan-3-yl)but-3-en-1-amine (CID 105004282) is 3-methyl-1-(2,4,5-trimethyloxolan-3-yl)but-3-en-1-amine.
What is the SMILES notation for 3-methyl-1-(2,4,5-trimethyloxolan-3-yl)but-3-en-1-amine?
The canonical SMILES for 3-methyl-1-(2,4,5-trimethyloxolan-3-yl)but-3-en-1-amine is C=C(C)CC(N)C1C(C)OC(C)C1C.
What is the InChIKey of 3-methyl-1-(2,4,5-trimethyloxolan-3-yl)but-3-en-1-amine?
The InChIKey is TWKJRSPIHKGNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-7(2)6-11(13)12-8(3)9(4)14-10(12)5/h8-12H,1,6,13H2,2-5H3.
What are the key properties of 3-methyl-1-(2,4,5-trimethyloxolan-3-yl)but-3-en-1-amine?
3-methyl-1-(2,4,5-trimethyloxolan-3-yl)but-3-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2,4,5-trimethyloxolan-3-yl)but-3-en-1-amine is sourced from PubChem (CID 105004282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).