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

C10H19NO — CID 105004919

IUPAC3-methyl-1-(2-methyloxolan-3-yl)but-2-en-1-amine
SMILESCC(C)=CC(N)C1CCOC1C
InChIInChI=1S/C10H19NO/c1-7(2)6-10(11)9-4-5-12-8(9)3/h6,8-10H,4-5,11H2,1-3H3
InChIKeyYGTXFWSTDYDTFV-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.70
Rot. Bonds2

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

3-methyl-1-(2-methyloxolan-3-yl)but-2-en-1-amine (PubChem CID 105004919) 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-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-1-(2-methyloxolan-3-yl)but-2-en-1-amine
PubChem CID105004919
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-methyl-1-(2-methyloxolan-3-yl)but-2-en-1-amine
SMILESCC(C)=CC(N)C1CCOC1C
InChIInChI=1S/C10H19NO/c1-7(2)6-10(11)9-4-5-12-8(9)3/h6,8-10H,4-5,11H2,1-3H3
InChIKeyYGTXFWSTDYDTFV-UHFFFAOYSA-N
XLogP1.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

(3R)-5-ethoxy-3-[(Z)-prop-1-enyl]hepta-5,6-dien-2-amine
CID 124095390
4-(1-Ethoxyethyl)cyclopent-2-en-1-amine;hydrochloride
CID 169224275
3-Methyl-1-(oxolan-3-yl)but-2-en-1-amine
CID 79177293
N,3-dimethyl-1-(oxolan-3-yl)but-2-en-1-amine
CID 79177510
N-ethyl-3-methyl-1-(oxolan-3-yl)but-2-en-1-amine
CID 79177737
3-methyl-1-(oxolan-3-yl)-N-propylbut-2-en-1-amine
CID 79177960
3-Methyl-1-(oxan-4-yl)but-2-en-1-amine
CID 79178183
4-Methyl-1-(oxolan-2-yl)pent-3-en-2-amine
CID 79190277
Cyclopenten-1-yl-(2-methyloxolan-3-yl)methanamine
CID 79757909
Cyclohepten-1-yl-(2-methyloxolan-3-yl)methanamine
CID 79758275
Cyclohexen-1-yl-(2-methyloxolan-3-yl)methanamine
CID 79760222
4-Methyl-1-(oxolan-3-yl)pent-3-en-2-amine
CID 103986650

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methyloxolan-3-yl)but-2-en-1-amine?
The IUPAC name of 3-methyl-1-(2-methyloxolan-3-yl)but-2-en-1-amine (CID 105004919) is 3-methyl-1-(2-methyloxolan-3-yl)but-2-en-1-amine.
What is the SMILES notation for 3-methyl-1-(2-methyloxolan-3-yl)but-2-en-1-amine?
The canonical SMILES for 3-methyl-1-(2-methyloxolan-3-yl)but-2-en-1-amine is CC(C)=CC(N)C1CCOC1C.
What is the InChIKey of 3-methyl-1-(2-methyloxolan-3-yl)but-2-en-1-amine?
The InChIKey is YGTXFWSTDYDTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)6-10(11)9-4-5-12-8(9)3/h6,8-10H,4-5,11H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methyloxolan-3-yl)but-2-en-1-amine?
3-methyl-1-(2-methyloxolan-3-yl)but-2-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.70, 2 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-2-en-1-amine is sourced from PubChem (CID 105004919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).