3-butan-2-yloxy-N-methylbut-3-en-1-amine

C9H19NO — CID 167073448

IUPAC3-butan-2-yloxy-N-methylbut-3-en-1-amine
SMILESC=C(CCNC)OC(C)CC
InChIInChI=1S/C9H19NO/c1-5-8(2)11-9(3)6-7-10-4/h8,10H,3,5-7H2,1-2,4H3
InChIKeyPDJPONQQRMMSDD-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.92
Rot. Bonds6

About 3-butan-2-yloxy-N-methylbut-3-en-1-amine

3-butan-2-yloxy-N-methylbut-3-en-1-amine (PubChem CID 167073448) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name3-butan-2-yloxy-N-methylbut-3-en-1-amine
PubChem CID167073448
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-butan-2-yloxy-N-methylbut-3-en-1-amine
SMILESC=C(CCNC)OC(C)CC
InChIInChI=1S/C9H19NO/c1-5-8(2)11-9(3)6-7-10-4/h8,10H,3,5-7H2,1-2,4H3
InChIKeyPDJPONQQRMMSDD-UHFFFAOYSA-N
XLogP1.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-methylbut-3-en-1-amine?
The IUPAC name of 3-butan-2-yloxy-N-methylbut-3-en-1-amine (CID 167073448) is 3-butan-2-yloxy-N-methylbut-3-en-1-amine.
What is the SMILES notation for 3-butan-2-yloxy-N-methylbut-3-en-1-amine?
The canonical SMILES for 3-butan-2-yloxy-N-methylbut-3-en-1-amine is C=C(CCNC)OC(C)CC.
What is the InChIKey of 3-butan-2-yloxy-N-methylbut-3-en-1-amine?
The InChIKey is PDJPONQQRMMSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-8(2)11-9(3)6-7-10-4/h8,10H,3,5-7H2,1-2,4H3.
What are the key properties of 3-butan-2-yloxy-N-methylbut-3-en-1-amine?
3-butan-2-yloxy-N-methylbut-3-en-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-methylbut-3-en-1-amine is sourced from PubChem (CID 167073448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).