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

C15H30N2O — CID 143375655

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

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

3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-3-N-methylbutane-1,3-diamine (PubChem CID 143375655) 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-3-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-3-N-methylbutane-1,3-diamine
PubChem CID143375655
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-3-N-methylbutane-1,3-diamine
SMILESC=C(/C=C(\C)OCC)CN(C)C(C)CCNCC
InChIInChI=1S/C15H30N2O/c1-7-16-10-9-14(4)17(6)12-13(3)11-15(5)18-8-2/h11,14,16H,3,7-10,12H2,1-2,4-6H3/b15-11+
InChIKeyMWUACKRHBZSIIS-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-[3-(Methylamino)propoxy]-2-methylidenepent-3-en-1-amine
CID 123647646
3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-1-N-methylbutane-1,3-diamine;uranium
CID 143375653
(2E)-4-[[4-[ethyl(methyl)amino]butan-2-ylamino]methyl]penta-2,4-dien-2-ol
CID 143375822
ethane;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine
CID 143376027
2-[(E)-1-(4-ethyl-2,5-dihydro-1H-pyrrol-3-yl)prop-1-en-2-yl]oxy-N-methylethanamine
CID 145533086
4-ethenyl-5-[(E)-2-ethoxyprop-1-enyl]-1,2,3,6-tetrahydropyridine
CID 156339978
N'-ethyl-N'-[(2-methoxycyclohexa-1,5-dien-1-yl)methyl]-N-methylbutane-1,4-diamine
CID 164861324
(2Z)-2-ethyl-N-[(E)-3-methoxyprop-2-enyl]-4-methylpenta-2,4-dien-1-amine
CID 166850487
(Z)-N-tert-butyl-2-methylidene-4-propan-2-yloxypent-3-en-1-amine
CID 173952700
N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine
CID 142989791
3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-1-N-methylbutane-1,3-diamine
CID 143375654
N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine
CID 143376028

Frequently Asked Questions

What is the IUPAC name of 3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-3-N-methylbutane-1,3-diamine?
The IUPAC name of 3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-3-N-methylbutane-1,3-diamine (CID 143375655) is 3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-3-N-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-3-N-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-3-N-methylbutane-1,3-diamine is C=C(/C=C(\C)OCC)CN(C)C(C)CCNCC.
What is the InChIKey of 3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-3-N-methylbutane-1,3-diamine?
The InChIKey is MWUACKRHBZSIIS-RVDMUPIBSA-N. The full InChI is InChI=1S/C15H30N2O/c1-7-16-10-9-14(4)17(6)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-3-N-methylbutane-1,3-diamine?
3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-3-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-3-N-methylbutane-1,3-diamine is sourced from PubChem (CID 143375655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).