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

C9H17NO — CID 65328177

IUPACN-methyl-1-(oxolan-2-yl)but-3-en-1-amine
SMILESC=CCC(NC)C1CCCO1
InChIInChI=1S/C9H17NO/c1-3-5-8(10-2)9-6-4-7-11-9/h3,8-10H,1,4-7H2,2H3
InChIKeyZMBPDPJDLOKURW-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds4

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

N-methyl-1-(oxolan-2-yl)but-3-en-1-amine (PubChem CID 65328177) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-methyl-1-(oxolan-2-yl)but-3-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-2-yl)but-3-en-1-amine
PubChem CID65328177
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-methyl-1-(oxolan-2-yl)but-3-en-1-amine
SMILESC=CCC(NC)C1CCCO1
InChIInChI=1S/C9H17NO/c1-3-5-8(10-2)9-6-4-7-11-9/h3,8-10H,1,4-7H2,2H3
InChIKeyZMBPDPJDLOKURW-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-methyl-1-(oxolan-2-yl)but-3-en-1-amine?
The IUPAC name of N-methyl-1-(oxolan-2-yl)but-3-en-1-amine (CID 65328177) is N-methyl-1-(oxolan-2-yl)but-3-en-1-amine.
What is the SMILES notation for N-methyl-1-(oxolan-2-yl)but-3-en-1-amine?
The canonical SMILES for N-methyl-1-(oxolan-2-yl)but-3-en-1-amine is C=CCC(NC)C1CCCO1.
What is the InChIKey of N-methyl-1-(oxolan-2-yl)but-3-en-1-amine?
The InChIKey is ZMBPDPJDLOKURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-5-8(10-2)9-6-4-7-11-9/h3,8-10H,1,4-7H2,2H3.
What are the key properties of N-methyl-1-(oxolan-2-yl)but-3-en-1-amine?
N-methyl-1-(oxolan-2-yl)but-3-en-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-2-yl)but-3-en-1-amine is sourced from PubChem (CID 65328177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).