butan-1-amine;propyl 2-methylprop-2-enoate

C11H23NO2 — CID 18325641

IUPACbutan-1-amine;propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC.CCCCN
InChIInChI=1S/C7H12O2.C4H11N/c1-4-5-9-7(8)6(2)3;1-2-3-4-5/h2,4-5H2,1,3H3;2-5H2,1H3
InChIKeyGHGAMXGLERMIMK-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.26
Rot. Bonds5

About butan-1-amine;propyl 2-methylprop-2-enoate

butan-1-amine;propyl 2-methylprop-2-enoate (PubChem CID 18325641) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is butan-1-amine;propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namebutan-1-amine;propyl 2-methylprop-2-enoate
PubChem CID18325641
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namebutan-1-amine;propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC.CCCCN
InChIInChI=1S/C7H12O2.C4H11N/c1-4-5-9-7(8)6(2)3;1-2-3-4-5/h2,4-5H2,1,3H3;2-5H2,1H3
InChIKeyGHGAMXGLERMIMK-UHFFFAOYSA-N
XLogP2.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butan-1-amine;propyl 2-methylprop-2-enoate?
The IUPAC name of butan-1-amine;propyl 2-methylprop-2-enoate (CID 18325641) is butan-1-amine;propyl 2-methylprop-2-enoate.
What is the SMILES notation for butan-1-amine;propyl 2-methylprop-2-enoate?
The canonical SMILES for butan-1-amine;propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC.CCCCN.
What is the InChIKey of butan-1-amine;propyl 2-methylprop-2-enoate?
The InChIKey is GHGAMXGLERMIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C4H11N/c1-4-5-9-7(8)6(2)3;1-2-3-4-5/h2,4-5H2,1,3H3;2-5H2,1H3.
What are the key properties of butan-1-amine;propyl 2-methylprop-2-enoate?
butan-1-amine;propyl 2-methylprop-2-enoate has a molecular weight of 201.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-amine;propyl 2-methylprop-2-enoate is sourced from PubChem (CID 18325641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).