ethane;N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine

C13H25NO — CID 143406799

IUPACethane;N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine
SMILESC=C/C(OC)=C(\C)N(CC)C1CC1.CC
InChIInChI=1S/C11H19NO.C2H6/c1-5-11(13-4)9(3)12(6-2)10-7-8-10;1-2/h5,10H,1,6-8H2,2-4H3;1-2H3/b11-9-;
InChIKeyKMNOAOXLUHFBGN-KSIDEHCFSA-N
MW211.35 g/mol
LogP3.56
Rot. Bonds5

About ethane;N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine

ethane;N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine (PubChem CID 143406799) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is ethane;N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine.

Molecular Properties

Compound Nameethane;N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine
PubChem CID143406799
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Nameethane;N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine
SMILESC=C/C(OC)=C(\C)N(CC)C1CC1.CC
InChIInChI=1S/C11H19NO.C2H6/c1-5-11(13-4)9(3)12(6-2)10-7-8-10;1-2/h5,10H,1,6-8H2,2-4H3;1-2H3/b11-9-;
InChIKeyKMNOAOXLUHFBGN-KSIDEHCFSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine 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 ethane;N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine?
The IUPAC name of ethane;N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine (CID 143406799) is ethane;N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine.
What is the SMILES notation for ethane;N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine?
The canonical SMILES for ethane;N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine is C=C/C(OC)=C(\C)N(CC)C1CC1.CC.
What is the InChIKey of ethane;N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine?
The InChIKey is KMNOAOXLUHFBGN-KSIDEHCFSA-N. The full InChI is InChI=1S/C11H19NO.C2H6/c1-5-11(13-4)9(3)12(6-2)10-7-8-10;1-2/h5,10H,1,6-8H2,2-4H3;1-2H3/b11-9-;.
What are the key properties of ethane;N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine?
ethane;N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine has a molecular weight of 211.35 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine is sourced from PubChem (CID 143406799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).