N-[3-(2-methylprop-2-enoxy)prop-1-en-2-yl]butan-1-amine

C11H21NO — CID 146259276

IUPACN-[3-(2-methylprop-2-enoxy)prop-1-en-2-yl]butan-1-amine
SMILESC=C(C)COCC(=C)NCCCC
InChIInChI=1S/C11H21NO/c1-5-6-7-12-11(4)9-13-8-10(2)3/h12H,2,4-9H2,1,3H3
InChIKeyWPOIMKZKUOTQNZ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.48
Rot. Bonds8

About N-[3-(2-methylprop-2-enoxy)prop-1-en-2-yl]butan-1-amine

N-[3-(2-methylprop-2-enoxy)prop-1-en-2-yl]butan-1-amine (PubChem CID 146259276) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-[3-(2-methylprop-2-enoxy)prop-1-en-2-yl]butan-1-amine.

Molecular Properties

Compound NameN-[3-(2-methylprop-2-enoxy)prop-1-en-2-yl]butan-1-amine
PubChem CID146259276
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-[3-(2-methylprop-2-enoxy)prop-1-en-2-yl]butan-1-amine
SMILESC=C(C)COCC(=C)NCCCC
InChIInChI=1S/C11H21NO/c1-5-6-7-12-11(4)9-13-8-10(2)3/h12H,2,4-9H2,1,3H3
InChIKeyWPOIMKZKUOTQNZ-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylprop-2-enoxy)prop-1-en-2-yl]butan-1-amine?
The IUPAC name of N-[3-(2-methylprop-2-enoxy)prop-1-en-2-yl]butan-1-amine (CID 146259276) is N-[3-(2-methylprop-2-enoxy)prop-1-en-2-yl]butan-1-amine.
What is the SMILES notation for N-[3-(2-methylprop-2-enoxy)prop-1-en-2-yl]butan-1-amine?
The canonical SMILES for N-[3-(2-methylprop-2-enoxy)prop-1-en-2-yl]butan-1-amine is C=C(C)COCC(=C)NCCCC.
What is the InChIKey of N-[3-(2-methylprop-2-enoxy)prop-1-en-2-yl]butan-1-amine?
The InChIKey is WPOIMKZKUOTQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-6-7-12-11(4)9-13-8-10(2)3/h12H,2,4-9H2,1,3H3.
What are the key properties of N-[3-(2-methylprop-2-enoxy)prop-1-en-2-yl]butan-1-amine?
N-[3-(2-methylprop-2-enoxy)prop-1-en-2-yl]butan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylprop-2-enoxy)prop-1-en-2-yl]butan-1-amine is sourced from PubChem (CID 146259276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).