N-but-3-en-2-yl-3-methyloxolan-3-amine

C9H17NO — CID 107908062

IUPACN-but-3-en-2-yl-3-methyloxolan-3-amine
SMILESC=CC(C)NC1(C)CCOC1
InChIInChI=1S/C9H17NO/c1-4-8(2)10-9(3)5-6-11-7-9/h4,8,10H,1,5-7H2,2-3H3
InChIKeyQFNQBLVLDXBMIH-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds3

About N-but-3-en-2-yl-3-methyloxolan-3-amine

N-but-3-en-2-yl-3-methyloxolan-3-amine (PubChem CID 107908062) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-but-3-en-2-yl-3-methyloxolan-3-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-3-methyloxolan-3-amine
PubChem CID107908062
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-but-3-en-2-yl-3-methyloxolan-3-amine
SMILESC=CC(C)NC1(C)CCOC1
InChIInChI=1S/C9H17NO/c1-4-8(2)10-9(3)5-6-11-7-9/h4,8,10H,1,5-7H2,2-3H3
InChIKeyQFNQBLVLDXBMIH-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-3-methyloxolan-3-amine?
The IUPAC name of N-but-3-en-2-yl-3-methyloxolan-3-amine (CID 107908062) is N-but-3-en-2-yl-3-methyloxolan-3-amine.
What is the SMILES notation for N-but-3-en-2-yl-3-methyloxolan-3-amine?
The canonical SMILES for N-but-3-en-2-yl-3-methyloxolan-3-amine is C=CC(C)NC1(C)CCOC1.
What is the InChIKey of N-but-3-en-2-yl-3-methyloxolan-3-amine?
The InChIKey is QFNQBLVLDXBMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-8(2)10-9(3)5-6-11-7-9/h4,8,10H,1,5-7H2,2-3H3.
What are the key properties of N-but-3-en-2-yl-3-methyloxolan-3-amine?
N-but-3-en-2-yl-3-methyloxolan-3-amine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-3-methyloxolan-3-amine is sourced from PubChem (CID 107908062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).