N-but-1-en-2-yloxan-4-amine

C9H17NO — CID 134356363

IUPACN-but-1-en-2-yloxan-4-amine
SMILESC=C(CC)NC1CCOCC1
InChIInChI=1S/C9H17NO/c1-3-8(2)10-9-4-6-11-7-5-9/h9-10H,2-7H2,1H3
InChIKeyPLTLYLCHTCRZNC-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.68
Rot. Bonds3

About N-but-1-en-2-yloxan-4-amine

N-but-1-en-2-yloxan-4-amine (PubChem CID 134356363) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-but-1-en-2-yloxan-4-amine.

Molecular Properties

Compound NameN-but-1-en-2-yloxan-4-amine
PubChem CID134356363
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-but-1-en-2-yloxan-4-amine
SMILESC=C(CC)NC1CCOCC1
InChIInChI=1S/C9H17NO/c1-3-8(2)10-9-4-6-11-7-5-9/h9-10H,2-7H2,1H3
InChIKeyPLTLYLCHTCRZNC-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yloxan-4-amine?
The IUPAC name of N-but-1-en-2-yloxan-4-amine (CID 134356363) is N-but-1-en-2-yloxan-4-amine.
What is the SMILES notation for N-but-1-en-2-yloxan-4-amine?
The canonical SMILES for N-but-1-en-2-yloxan-4-amine is C=C(CC)NC1CCOCC1.
What is the InChIKey of N-but-1-en-2-yloxan-4-amine?
The InChIKey is PLTLYLCHTCRZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-8(2)10-9-4-6-11-7-5-9/h9-10H,2-7H2,1H3.
What are the key properties of N-but-1-en-2-yloxan-4-amine?
N-but-1-en-2-yloxan-4-amine has a molecular weight of 155.24 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yloxan-4-amine is sourced from PubChem (CID 134356363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).