3-methyl-1-(2-methyloxolan-3-yl)but-3-en-1-amine

C10H19NO — CID 105004285

IUPAC3-methyl-1-(2-methyloxolan-3-yl)but-3-en-1-amine
SMILESC=C(C)CC(N)C1CCOC1C
InChIInChI=1S/C10H19NO/c1-7(2)6-10(11)9-4-5-12-8(9)3/h8-10H,1,4-6,11H2,2-3H3
InChIKeyGLIJFICWVJSJIV-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.70
Rot. Bonds3

About 3-methyl-1-(2-methyloxolan-3-yl)but-3-en-1-amine

3-methyl-1-(2-methyloxolan-3-yl)but-3-en-1-amine (PubChem CID 105004285) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-methyl-1-(2-methyloxolan-3-yl)but-3-en-1-amine.

Molecular Properties

Compound Name3-methyl-1-(2-methyloxolan-3-yl)but-3-en-1-amine
PubChem CID105004285
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-methyl-1-(2-methyloxolan-3-yl)but-3-en-1-amine
SMILESC=C(C)CC(N)C1CCOC1C
InChIInChI=1S/C10H19NO/c1-7(2)6-10(11)9-4-5-12-8(9)3/h8-10H,1,4-6,11H2,2-3H3
InChIKeyGLIJFICWVJSJIV-UHFFFAOYSA-N
XLogP1.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.70
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-(Oxolan-3-yl)hex-5-en-1-amine
CID 65330238
N-methyl-1-(oxolan-3-yl)pent-4-en-1-amine
CID 65330303
1-(Oxolan-3-yl)pent-4-en-1-amine
CID 65330407
3-Methylidene-1-(oxolan-3-yl)pentan-1-amine
CID 66037812
N-methyl-3-methylidene-1-(oxolan-3-yl)pentan-1-amine
CID 66037813
4-Methylidene-1-(oxolan-2-yl)hexan-2-amine
CID 66044104
2-Methyl-1-(oxolan-3-yl)prop-2-en-1-amine
CID 79177292
N,2-dimethyl-1-(oxolan-3-yl)prop-2-en-1-amine
CID 79177294
4-Methyl-1-(oxolan-2-yl)pent-4-en-2-amine
CID 79179974
3-Methyl-1-(oxolan-3-yl)but-3-en-1-amine
CID 79186289
N,3-dimethyl-1-(oxolan-3-yl)but-3-en-1-amine
CID 79186290
N-ethyl-3-methyl-1-(oxolan-3-yl)but-3-en-1-amine
CID 79186406

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methyloxolan-3-yl)but-3-en-1-amine?
The IUPAC name of 3-methyl-1-(2-methyloxolan-3-yl)but-3-en-1-amine (CID 105004285) is 3-methyl-1-(2-methyloxolan-3-yl)but-3-en-1-amine.
What is the SMILES notation for 3-methyl-1-(2-methyloxolan-3-yl)but-3-en-1-amine?
The canonical SMILES for 3-methyl-1-(2-methyloxolan-3-yl)but-3-en-1-amine is C=C(C)CC(N)C1CCOC1C.
What is the InChIKey of 3-methyl-1-(2-methyloxolan-3-yl)but-3-en-1-amine?
The InChIKey is GLIJFICWVJSJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)6-10(11)9-4-5-12-8(9)3/h8-10H,1,4-6,11H2,2-3H3.
What are the key properties of 3-methyl-1-(2-methyloxolan-3-yl)but-3-en-1-amine?
3-methyl-1-(2-methyloxolan-3-yl)but-3-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.70, 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-methyloxolan-3-yl)but-3-en-1-amine is sourced from PubChem (CID 105004285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).