2-[2-(2-prop-1-enylidenecyclopropylidene)propoxy]ethanamine

C11H17NO — CID 90705841

IUPAC2-[2-(2-prop-1-enylidenecyclopropylidene)propoxy]ethanamine
SMILESCC=C=C1CC1=C(C)COCCN
InChIInChI=1S/C11H17NO/c1-3-4-10-7-11(10)9(2)8-13-6-5-12/h3H,5-8,12H2,1-2H3
InChIKeyWFNXHBOIERWRHZ-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.78
Rot. Bonds4

About 2-[2-(2-prop-1-enylidenecyclopropylidene)propoxy]ethanamine

2-[2-(2-prop-1-enylidenecyclopropylidene)propoxy]ethanamine (PubChem CID 90705841) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-[2-(2-prop-1-enylidenecyclopropylidene)propoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(2-prop-1-enylidenecyclopropylidene)propoxy]ethanamine
PubChem CID90705841
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-[2-(2-prop-1-enylidenecyclopropylidene)propoxy]ethanamine
SMILESCC=C=C1CC1=C(C)COCCN
InChIInChI=1S/C11H17NO/c1-3-4-10-7-11(10)9(2)8-13-6-5-12/h3H,5-8,12H2,1-2H3
InChIKeyWFNXHBOIERWRHZ-UHFFFAOYSA-N
XLogP1.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(2-prop-1-enylidenecyclopropylidene)propoxy]ethanamine 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

2-(4-Methylpent-3-en-2-yloxy)ethanamine
CID 87594390
1-(2,4-Dimethylhexa-2,4-dien-3-yloxy)propan-2-amine
CID 91614440
ethane;2-[(2E,4E,6E)-5-ethenylocta-2,4,6-trien-3-yl]oxyethanamine
CID 142390039
ethane;2-[(3E,5E)-4-ethenylhepta-1,3,5-trien-2-yl]oxyethanamine
CID 142390425
2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethanamine
CID 143559950
acetylene;1-[(2Z,4Z)-2-methylhepta-2,4-dienoxy]propan-2-amine
CID 144112486
3-[(2Z,4Z)-4-methylhepta-2,4-dienoxy]propan-1-amine
CID 156377393
(3Z,5E,6E,8E)-8-ethenyl-5-(2-propoxyethylidene)deca-3,6,8-trien-1-amine
CID 167046317
1-[(3Z,5Z)-3-methylocta-1,3,5-trien-2-yl]oxypropan-2-amine
CID 168886572
2-[(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-trien-2-yl]oxyethanamine
CID 170244709
2-[(E)-2,4,4-trimethylpent-2-enoxy]ethanamine
CID 173477340
4-Methyl-5-propoxypent-3-en-1-amine
CID 79592243

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-prop-1-enylidenecyclopropylidene)propoxy]ethanamine?
The IUPAC name of 2-[2-(2-prop-1-enylidenecyclopropylidene)propoxy]ethanamine (CID 90705841) is 2-[2-(2-prop-1-enylidenecyclopropylidene)propoxy]ethanamine.
What is the SMILES notation for 2-[2-(2-prop-1-enylidenecyclopropylidene)propoxy]ethanamine?
The canonical SMILES for 2-[2-(2-prop-1-enylidenecyclopropylidene)propoxy]ethanamine is CC=C=C1CC1=C(C)COCCN.
What is the InChIKey of 2-[2-(2-prop-1-enylidenecyclopropylidene)propoxy]ethanamine?
The InChIKey is WFNXHBOIERWRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-4-10-7-11(10)9(2)8-13-6-5-12/h3H,5-8,12H2,1-2H3.
What are the key properties of 2-[2-(2-prop-1-enylidenecyclopropylidene)propoxy]ethanamine?
2-[2-(2-prop-1-enylidenecyclopropylidene)propoxy]ethanamine has a molecular weight of 179.26 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-prop-1-enylidenecyclopropylidene)propoxy]ethanamine is sourced from PubChem (CID 90705841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).