N-but-1-en-2-yl-4-ethoxybutan-1-amine

C10H21NO — CID 177149892

IUPACN-but-1-en-2-yl-4-ethoxybutan-1-amine
SMILESC=C(CC)NCCCCOCC
InChIInChI=1S/C10H21NO/c1-4-10(3)11-8-6-7-9-12-5-2/h11H,3-9H2,1-2H3
InChIKeyWPOPIDBVIMSAJR-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.32
Rot. Bonds8

About N-but-1-en-2-yl-4-ethoxybutan-1-amine

N-but-1-en-2-yl-4-ethoxybutan-1-amine (PubChem CID 177149892) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-but-1-en-2-yl-4-ethoxybutan-1-amine.

Molecular Properties

Compound NameN-but-1-en-2-yl-4-ethoxybutan-1-amine
PubChem CID177149892
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-but-1-en-2-yl-4-ethoxybutan-1-amine
SMILESC=C(CC)NCCCCOCC
InChIInChI=1S/C10H21NO/c1-4-10(3)11-8-6-7-9-12-5-2/h11H,3-9H2,1-2H3
InChIKeyWPOPIDBVIMSAJR-UHFFFAOYSA-N
XLogP2.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-4-ethoxybutan-1-amine?
The IUPAC name of N-but-1-en-2-yl-4-ethoxybutan-1-amine (CID 177149892) is N-but-1-en-2-yl-4-ethoxybutan-1-amine.
What is the SMILES notation for N-but-1-en-2-yl-4-ethoxybutan-1-amine?
The canonical SMILES for N-but-1-en-2-yl-4-ethoxybutan-1-amine is C=C(CC)NCCCCOCC.
What is the InChIKey of N-but-1-en-2-yl-4-ethoxybutan-1-amine?
The InChIKey is WPOPIDBVIMSAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-10(3)11-8-6-7-9-12-5-2/h11H,3-9H2,1-2H3.
What are the key properties of N-but-1-en-2-yl-4-ethoxybutan-1-amine?
N-but-1-en-2-yl-4-ethoxybutan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-4-ethoxybutan-1-amine is sourced from PubChem (CID 177149892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).