ethane;(Z)-1-N-(3-methoxypropyl)-2-methylbut-1-ene-1,3-diamine

C11H26N2O — CID 144665861

IUPACethane;(Z)-1-N-(3-methoxypropyl)-2-methylbut-1-ene-1,3-diamine
SMILESCC.COCCCN/C=C(/C)C(C)N
InChIInChI=1S/C9H20N2O.C2H6/c1-8(9(2)10)7-11-5-4-6-12-3;1-2/h7,9,11H,4-6,10H2,1-3H3;1-2H3/b8-7-;
InChIKeyCDJABLIAFKBUBU-CFYXSCKTSA-N
MW202.34 g/mol
LogP1.89
Rot. Bonds6

About ethane;(Z)-1-N-(3-methoxypropyl)-2-methylbut-1-ene-1,3-diamine

ethane;(Z)-1-N-(3-methoxypropyl)-2-methylbut-1-ene-1,3-diamine (PubChem CID 144665861) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is ethane;(Z)-1-N-(3-methoxypropyl)-2-methylbut-1-ene-1,3-diamine.

Molecular Properties

Compound Nameethane;(Z)-1-N-(3-methoxypropyl)-2-methylbut-1-ene-1,3-diamine
PubChem CID144665861
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Nameethane;(Z)-1-N-(3-methoxypropyl)-2-methylbut-1-ene-1,3-diamine
SMILESCC.COCCCN/C=C(/C)C(C)N
InChIInChI=1S/C9H20N2O.C2H6/c1-8(9(2)10)7-11-5-4-6-12-3;1-2/h7,9,11H,4-6,10H2,1-3H3;1-2H3/b8-7-;
InChIKeyCDJABLIAFKBUBU-CFYXSCKTSA-N
XLogP1.89
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;(Z)-1-N-(3-methoxypropyl)-2-methylbut-1-ene-1,3-diamine 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;(Z)-1-N-(3-methoxypropyl)-2-methylbut-1-ene-1,3-diamine?
The IUPAC name of ethane;(Z)-1-N-(3-methoxypropyl)-2-methylbut-1-ene-1,3-diamine (CID 144665861) is ethane;(Z)-1-N-(3-methoxypropyl)-2-methylbut-1-ene-1,3-diamine.
What is the SMILES notation for ethane;(Z)-1-N-(3-methoxypropyl)-2-methylbut-1-ene-1,3-diamine?
The canonical SMILES for ethane;(Z)-1-N-(3-methoxypropyl)-2-methylbut-1-ene-1,3-diamine is CC.COCCCN/C=C(/C)C(C)N.
What is the InChIKey of ethane;(Z)-1-N-(3-methoxypropyl)-2-methylbut-1-ene-1,3-diamine?
The InChIKey is CDJABLIAFKBUBU-CFYXSCKTSA-N. The full InChI is InChI=1S/C9H20N2O.C2H6/c1-8(9(2)10)7-11-5-4-6-12-3;1-2/h7,9,11H,4-6,10H2,1-3H3;1-2H3/b8-7-;.
What are the key properties of ethane;(Z)-1-N-(3-methoxypropyl)-2-methylbut-1-ene-1,3-diamine?
ethane;(Z)-1-N-(3-methoxypropyl)-2-methylbut-1-ene-1,3-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-1-N-(3-methoxypropyl)-2-methylbut-1-ene-1,3-diamine is sourced from PubChem (CID 144665861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).