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

C9H17NO — CID 103986776

IUPAC3-methyl-1-(oxolan-3-yl)but-3-en-2-amine
SMILESC=C(C)C(N)CC1CCOC1
InChIInChI=1S/C9H17NO/c1-7(2)9(10)5-8-3-4-11-6-8/h8-9H,1,3-6,10H2,2H3
InChIKeyMEROGIWROLZEHB-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.32
Rot. Bonds3

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

3-methyl-1-(oxolan-3-yl)but-3-en-2-amine (PubChem CID 103986776) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-methyl-1-(oxolan-3-yl)but-3-en-2-amine.

Molecular Properties

Compound Name3-methyl-1-(oxolan-3-yl)but-3-en-2-amine
PubChem CID103986776
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-methyl-1-(oxolan-3-yl)but-3-en-2-amine
SMILESC=C(C)C(N)CC1CCOC1
InChIInChI=1S/C9H17NO/c1-7(2)9(10)5-8-3-4-11-6-8/h8-9H,1,3-6,10H2,2H3
InChIKeyMEROGIWROLZEHB-UHFFFAOYSA-N
XLogP1.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.32
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)pent-4-en-1-amine
CID 65330407
3-Methylidene-1-(oxolan-3-yl)pentan-1-amine
CID 66037812
3-Methylidene-1-(oxan-4-yl)pentan-1-amine
CID 66038049
3-Methylidene-1-(oxan-3-yl)pentan-1-amine
CID 66038289
2-Methyl-1-(oxolan-3-yl)prop-2-en-1-amine
CID 79177292
2-Methyl-1-(oxan-3-yl)prop-2-en-1-amine
CID 79178834
3-Methyl-1-(oxan-3-yl)but-3-en-1-amine
CID 79184856
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
3-Methyl-1-(oxan-4-yl)but-3-en-1-amine
CID 79186536
3-Methyl-1-(2-methyloxolan-2-yl)but-3-en-1-amine
CID 80174004
3-Methylidene-1-(2-methyloxolan-2-yl)pentan-1-amine
CID 80174294

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxolan-3-yl)but-3-en-2-amine?
The IUPAC name of 3-methyl-1-(oxolan-3-yl)but-3-en-2-amine (CID 103986776) is 3-methyl-1-(oxolan-3-yl)but-3-en-2-amine.
What is the SMILES notation for 3-methyl-1-(oxolan-3-yl)but-3-en-2-amine?
The canonical SMILES for 3-methyl-1-(oxolan-3-yl)but-3-en-2-amine is C=C(C)C(N)CC1CCOC1.
What is the InChIKey of 3-methyl-1-(oxolan-3-yl)but-3-en-2-amine?
The InChIKey is MEROGIWROLZEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)9(10)5-8-3-4-11-6-8/h8-9H,1,3-6,10H2,2H3.
What are the key properties of 3-methyl-1-(oxolan-3-yl)but-3-en-2-amine?
3-methyl-1-(oxolan-3-yl)but-3-en-2-amine has a molecular weight of 155.24 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxolan-3-yl)but-3-en-2-amine is sourced from PubChem (CID 103986776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).