acetylene;(Z)-3-ethoxypent-3-en-1-amine;propane

C12H25NO — CID 177319971

IUPACacetylene;(Z)-3-ethoxypent-3-en-1-amine;propane
SMILESC#C.C/C=C(/CCN)OCC.CCC
InChIInChI=1S/C7H15NO.C3H8.C2H2/c1-3-7(5-6-8)9-4-2;1-3-2;1-2/h3H,4-6,8H2,1-2H3;3H2,1-2H3;1-2H/b7-3-;;
InChIKeyMTWQQWDQBSYVBW-NAMRTZQUSA-N
MW199.34 g/mol
LogP2.94
Rot. Bonds4

About acetylene;(Z)-3-ethoxypent-3-en-1-amine;propane

acetylene;(Z)-3-ethoxypent-3-en-1-amine;propane (PubChem CID 177319971) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is acetylene;(Z)-3-ethoxypent-3-en-1-amine;propane.

Molecular Properties

Compound Nameacetylene;(Z)-3-ethoxypent-3-en-1-amine;propane
PubChem CID177319971
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Nameacetylene;(Z)-3-ethoxypent-3-en-1-amine;propane
SMILESC#C.C/C=C(/CCN)OCC.CCC
InChIInChI=1S/C7H15NO.C3H8.C2H2/c1-3-7(5-6-8)9-4-2;1-3-2;1-2/h3H,4-6,8H2,1-2H3;3H2,1-2H3;1-2H/b7-3-;;
InChIKeyMTWQQWDQBSYVBW-NAMRTZQUSA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze acetylene;(Z)-3-ethoxypent-3-en-1-amine;propane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetylene;(Z)-3-ethoxypent-3-en-1-amine;propane?
The IUPAC name of acetylene;(Z)-3-ethoxypent-3-en-1-amine;propane (CID 177319971) is acetylene;(Z)-3-ethoxypent-3-en-1-amine;propane.
What is the SMILES notation for acetylene;(Z)-3-ethoxypent-3-en-1-amine;propane?
The canonical SMILES for acetylene;(Z)-3-ethoxypent-3-en-1-amine;propane is C#C.C/C=C(/CCN)OCC.CCC.
What is the InChIKey of acetylene;(Z)-3-ethoxypent-3-en-1-amine;propane?
The InChIKey is MTWQQWDQBSYVBW-NAMRTZQUSA-N. The full InChI is InChI=1S/C7H15NO.C3H8.C2H2/c1-3-7(5-6-8)9-4-2;1-3-2;1-2/h3H,4-6,8H2,1-2H3;3H2,1-2H3;1-2H/b7-3-;;.
What are the key properties of acetylene;(Z)-3-ethoxypent-3-en-1-amine;propane?
acetylene;(Z)-3-ethoxypent-3-en-1-amine;propane has a molecular weight of 199.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;(Z)-3-ethoxypent-3-en-1-amine;propane is sourced from PubChem (CID 177319971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).