N-(4-methoxybut-2-enyl)-N-methylpent-2-en-1-amine

C11H21NO — CID 59941291

IUPACN-(4-methoxybut-2-enyl)-N-methylpent-2-en-1-amine
SMILESCCC=CCN(C)CC=CCOC
InChIInChI=1S/C11H21NO/c1-4-5-6-9-12(2)10-7-8-11-13-3/h5-8H,4,9-11H2,1-3H3
InChIKeyLACVVGLOKCGUPS-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.09
Rot. Bonds7

About N-(4-methoxybut-2-enyl)-N-methylpent-2-en-1-amine

N-(4-methoxybut-2-enyl)-N-methylpent-2-en-1-amine (PubChem CID 59941291) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-(4-methoxybut-2-enyl)-N-methylpent-2-en-1-amine.

Molecular Properties

Compound NameN-(4-methoxybut-2-enyl)-N-methylpent-2-en-1-amine
PubChem CID59941291
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-(4-methoxybut-2-enyl)-N-methylpent-2-en-1-amine
SMILESCCC=CCN(C)CC=CCOC
InChIInChI=1S/C11H21NO/c1-4-5-6-9-12(2)10-7-8-11-13-3/h5-8H,4,9-11H2,1-3H3
InChIKeyLACVVGLOKCGUPS-UHFFFAOYSA-N
XLogP2.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybut-2-enyl)-N-methylpent-2-en-1-amine?
The IUPAC name of N-(4-methoxybut-2-enyl)-N-methylpent-2-en-1-amine (CID 59941291) is N-(4-methoxybut-2-enyl)-N-methylpent-2-en-1-amine.
What is the SMILES notation for N-(4-methoxybut-2-enyl)-N-methylpent-2-en-1-amine?
The canonical SMILES for N-(4-methoxybut-2-enyl)-N-methylpent-2-en-1-amine is CCC=CCN(C)CC=CCOC.
What is the InChIKey of N-(4-methoxybut-2-enyl)-N-methylpent-2-en-1-amine?
The InChIKey is LACVVGLOKCGUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-5-6-9-12(2)10-7-8-11-13-3/h5-8H,4,9-11H2,1-3H3.
What are the key properties of N-(4-methoxybut-2-enyl)-N-methylpent-2-en-1-amine?
N-(4-methoxybut-2-enyl)-N-methylpent-2-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybut-2-enyl)-N-methylpent-2-en-1-amine is sourced from PubChem (CID 59941291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).