3-but-1-enoxy-N,N-diethylpropan-1-amine

C11H23NO — CID 87106997

IUPAC3-but-1-enoxy-N,N-diethylpropan-1-amine
SMILESCCC=COCCCN(CC)CC
InChIInChI=1S/C11H23NO/c1-4-7-10-13-11-8-9-12(5-2)6-3/h7,10H,4-6,8-9,11H2,1-3H3
InChIKeyBQLQALXVGNQANE-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.66
Rot. Bonds8

About 3-but-1-enoxy-N,N-diethylpropan-1-amine

3-but-1-enoxy-N,N-diethylpropan-1-amine (PubChem CID 87106997) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-but-1-enoxy-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-but-1-enoxy-N,N-diethylpropan-1-amine
PubChem CID87106997
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-but-1-enoxy-N,N-diethylpropan-1-amine
SMILESCCC=COCCCN(CC)CC
InChIInChI=1S/C11H23NO/c1-4-7-10-13-11-8-9-12(5-2)6-3/h7,10H,4-6,8-9,11H2,1-3H3
InChIKeyBQLQALXVGNQANE-UHFFFAOYSA-N
XLogP2.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-but-1-enoxy-N,N-diethylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dimethylaminodihydrofurane
CID 129648897
3-ethoxy-N,N-diethylbut-3-en-1-amine
CID 12572539
3-methoxy-N-methyl-N-prop-2-enylpropan-1-amine
CID 20524571
3-methoxy-N,N-bis(prop-2-enyl)propan-1-amine
CID 45089040
4-[4-(diethylamino)but-1-enoxy]-N,N-diethylbut-3-en-1-amine
CID 57185607
4-[4-(dimethylamino)but-1-enoxy]-N,N-dimethylbut-3-en-1-amine
CID 57274018
N-(2-methoxyethyl)-N-methyl-but-3-en-1-amine
CID 59327263
N,N-diethyl-3-[(Z)-prop-1-enoxy]propan-1-amine
CID 87106159
N,N-diethyl-3-prop-1-enoxypropan-1-amine
CID 87106160
3-[(Z)-pent-2-en-3-yl]oxy-N,N-dipropylpropan-1-amine
CID 87106175
3-pent-2-en-2-yloxy-N,N-dipropylpropan-1-amine
CID 87106176
N,N-dimethyl-3-[(Z)-prop-1-enoxy]propan-1-amine
CID 87106297

Frequently Asked Questions

What is the IUPAC name of 3-but-1-enoxy-N,N-diethylpropan-1-amine?
The IUPAC name of 3-but-1-enoxy-N,N-diethylpropan-1-amine (CID 87106997) is 3-but-1-enoxy-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-but-1-enoxy-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-but-1-enoxy-N,N-diethylpropan-1-amine is CCC=COCCCN(CC)CC.
What is the InChIKey of 3-but-1-enoxy-N,N-diethylpropan-1-amine?
The InChIKey is BQLQALXVGNQANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-7-10-13-11-8-9-12(5-2)6-3/h7,10H,4-6,8-9,11H2,1-3H3.
What are the key properties of 3-but-1-enoxy-N,N-diethylpropan-1-amine?
3-but-1-enoxy-N,N-diethylpropan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-1-enoxy-N,N-diethylpropan-1-amine is sourced from PubChem (CID 87106997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).