3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-1-N-methylbutane-1,3-diamine

C15H30N2O — CID 143375654

IUPAC3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-1-N-methylbutane-1,3-diamine
SMILESC=C(/C=C(\C)OCC)CNC(C)CCN(C)CC
InChIInChI=1S/C15H30N2O/c1-7-17(6)10-9-14(4)16-12-13(3)11-15(5)18-8-2/h11,14,16H,3,7-10,12H2,1-2,4-6H3/b15-11+
InChIKeyYXYURNVLTHTXMB-RVDMUPIBSA-N
MW254.42 g/mol
LogP2.80
Rot. Bonds10

About 3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-1-N-methylbutane-1,3-diamine

3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-1-N-methylbutane-1,3-diamine (PubChem CID 143375654) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-1-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-1-N-methylbutane-1,3-diamine
PubChem CID143375654
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-1-N-methylbutane-1,3-diamine
SMILESC=C(/C=C(\C)OCC)CNC(C)CCN(C)CC
InChIInChI=1S/C15H30N2O/c1-7-17(6)10-9-14(4)16-12-13(3)11-15(5)18-8-2/h11,14,16H,3,7-10,12H2,1-2,4-6H3/b15-11+
InChIKeyYXYURNVLTHTXMB-RVDMUPIBSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine
CID 153352387
ethyl 3-[2-[ethyl(methyl)amino]ethylamino]butanoate
CID 62636773
ethyl 4-[ethyl(methyl)amino]-2-(propylamino)butanoate
CID 63028998
ethane;N-ethyl-N,3-dimethylbutan-1-amine
CID 143818510
N-[4-[ethyl(methyl)amino]butan-2-yl]-N'-methylmethanimidamide
CID 139506562
1-N,1-N-diethyl-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine
CID 60689920
1-N,3-N-diethyl-1-N-(2-methylprop-2-enyl)butane-1,3-diamine
CID 62834009
ethyl 4-[methyl(3-methylbutyl)amino]-2-(propylamino)butanoate
CID 63055201
2-[4-(dimethylamino)butan-2-ylamino]-N-pentan-2-ylacetamide
CID 54963536
N'-ethyl-N',2-dimethylbutane-1,4-diamine
CID 81079542
N'-ethyl-N'-methyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 62635241
ethyl 2-[1-(dimethylamino)propan-2-ylamino]acetate
CID 82938567

Frequently Asked Questions

What is the IUPAC name of 3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-1-N-methylbutane-1,3-diamine?
The IUPAC name of 3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-1-N-methylbutane-1,3-diamine (CID 143375654) is 3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-1-N-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-1-N-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-1-N-methylbutane-1,3-diamine is C=C(/C=C(\C)OCC)CNC(C)CCN(C)CC.
What is the InChIKey of 3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-1-N-methylbutane-1,3-diamine?
The InChIKey is YXYURNVLTHTXMB-RVDMUPIBSA-N. The full InChI is InChI=1S/C15H30N2O/c1-7-17(6)10-9-14(4)16-12-13(3)11-15(5)18-8-2/h11,14,16H,3,7-10,12H2,1-2,4-6H3/b15-11+.
What are the key properties of 3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-1-N-methylbutane-1,3-diamine?
3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-1-N-methylbutane-1,3-diamine has a molecular weight of 254.42 g/mol, XLogP of 2.80, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-1-N-methylbutane-1,3-diamine is sourced from PubChem (CID 143375654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).