N-[(E)-but-1-enyl]-N-(2-methylpropyl)oxan-4-amine

C13H25NO — CID 135171643

IUPACN-[(E)-but-1-enyl]-N-(2-methylpropyl)oxan-4-amine
SMILESCC/C=C/N(CC(C)C)C1CCOCC1
InChIInChI=1S/C13H25NO/c1-4-5-8-14(11-12(2)3)13-6-9-15-10-7-13/h5,8,12-13H,4,6-7,9-11H2,1-3H3/b8-5+
InChIKeyJGWAXHXDITYHKX-VMPITWQZSA-N
MW211.35 g/mol
LogP3.05
Rot. Bonds5

About N-[(E)-but-1-enyl]-N-(2-methylpropyl)oxan-4-amine

N-[(E)-but-1-enyl]-N-(2-methylpropyl)oxan-4-amine (PubChem CID 135171643) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[(E)-but-1-enyl]-N-(2-methylpropyl)oxan-4-amine.

Molecular Properties

Compound NameN-[(E)-but-1-enyl]-N-(2-methylpropyl)oxan-4-amine
PubChem CID135171643
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-[(E)-but-1-enyl]-N-(2-methylpropyl)oxan-4-amine
SMILESCC/C=C/N(CC(C)C)C1CCOCC1
InChIInChI=1S/C13H25NO/c1-4-5-8-14(11-12(2)3)13-6-9-15-10-7-13/h5,8,12-13H,4,6-7,9-11H2,1-3H3/b8-5+
InChIKeyJGWAXHXDITYHKX-VMPITWQZSA-N
XLogP3.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-1-enyl]-N-(2-methylpropyl)oxan-4-amine?
The IUPAC name of N-[(E)-but-1-enyl]-N-(2-methylpropyl)oxan-4-amine (CID 135171643) is N-[(E)-but-1-enyl]-N-(2-methylpropyl)oxan-4-amine.
What is the SMILES notation for N-[(E)-but-1-enyl]-N-(2-methylpropyl)oxan-4-amine?
The canonical SMILES for N-[(E)-but-1-enyl]-N-(2-methylpropyl)oxan-4-amine is CC/C=C/N(CC(C)C)C1CCOCC1.
What is the InChIKey of N-[(E)-but-1-enyl]-N-(2-methylpropyl)oxan-4-amine?
The InChIKey is JGWAXHXDITYHKX-VMPITWQZSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-5-8-14(11-12(2)3)13-6-9-15-10-7-13/h5,8,12-13H,4,6-7,9-11H2,1-3H3/b8-5+.
What are the key properties of N-[(E)-but-1-enyl]-N-(2-methylpropyl)oxan-4-amine?
N-[(E)-but-1-enyl]-N-(2-methylpropyl)oxan-4-amine has a molecular weight of 211.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-1-enyl]-N-(2-methylpropyl)oxan-4-amine is sourced from PubChem (CID 135171643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).