4-methoxy-N-propan-2-ylbut-1-en-2-amine

C8H17NO — CID 159001553

IUPAC4-methoxy-N-propan-2-ylbut-1-en-2-amine
SMILESC=C(CCOC)NC(C)C
InChIInChI=1S/C8H17NO/c1-7(2)9-8(3)5-6-10-4/h7,9H,3,5-6H2,1-2,4H3
InChIKeyXFYKKIPCPXHEBH-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.53
Rot. Bonds5

About 4-methoxy-N-propan-2-ylbut-1-en-2-amine

4-methoxy-N-propan-2-ylbut-1-en-2-amine (PubChem CID 159001553) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-methoxy-N-propan-2-ylbut-1-en-2-amine.

Molecular Properties

Compound Name4-methoxy-N-propan-2-ylbut-1-en-2-amine
PubChem CID159001553
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-methoxy-N-propan-2-ylbut-1-en-2-amine
SMILESC=C(CCOC)NC(C)C
InChIInChI=1S/C8H17NO/c1-7(2)9-8(3)5-6-10-4/h7,9H,3,5-6H2,1-2,4H3
InChIKeyXFYKKIPCPXHEBH-UHFFFAOYSA-N
XLogP1.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-propan-2-ylbut-1-en-2-amine?
The IUPAC name of 4-methoxy-N-propan-2-ylbut-1-en-2-amine (CID 159001553) is 4-methoxy-N-propan-2-ylbut-1-en-2-amine.
What is the SMILES notation for 4-methoxy-N-propan-2-ylbut-1-en-2-amine?
The canonical SMILES for 4-methoxy-N-propan-2-ylbut-1-en-2-amine is C=C(CCOC)NC(C)C.
What is the InChIKey of 4-methoxy-N-propan-2-ylbut-1-en-2-amine?
The InChIKey is XFYKKIPCPXHEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(2)9-8(3)5-6-10-4/h7,9H,3,5-6H2,1-2,4H3.
What are the key properties of 4-methoxy-N-propan-2-ylbut-1-en-2-amine?
4-methoxy-N-propan-2-ylbut-1-en-2-amine has a molecular weight of 143.23 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-propan-2-ylbut-1-en-2-amine is sourced from PubChem (CID 159001553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).