N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethyl-N-methylpiperidin-4-amine

C16H30N2O — CID 143375786

IUPACN-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESC=C(/C=C(\C)OCC)CN(C)C1CCN(CC)CC1
InChIInChI=1S/C16H30N2O/c1-6-18-10-8-16(9-11-18)17(5)13-14(3)12-15(4)19-7-2/h12,16H,3,6-11,13H2,1-2,4-5H3/b15-12+
InChIKeyIPZGJBWCTZFHMZ-NTCAYCPXSA-N
MW266.43 g/mol
LogP2.90
Rot. Bonds7

About N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethyl-N-methylpiperidin-4-amine

N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethyl-N-methylpiperidin-4-amine (PubChem CID 143375786) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethyl-N-methylpiperidin-4-amine
PubChem CID143375786
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESC=C(/C=C(\C)OCC)CN(C)C1CCN(CC)CC1
InChIInChI=1S/C16H30N2O/c1-6-18-10-8-16(9-11-18)17(5)13-14(3)12-15(4)19-7-2/h12,16H,3,6-11,13H2,1-2,4-5H3/b15-12+
InChIKeyIPZGJBWCTZFHMZ-NTCAYCPXSA-N
XLogP2.90
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethyl-N-methylpiperidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]piperidine
CID 118058189
ethane;1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine
CID 142009191
ethane;ethene;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethyl-N-methylpiperidin-4-amine
CID 143375785
ethane;ethene;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine
CID 143375871
ethane;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine
CID 143376027
but-1-ene;1-[(2E,4E)-2-[(E)-but-2-en-2-yl]-5-[3-(dimethylamino)propoxy]hexa-2,4-dienyl]-N,N-dimethylpiperidin-3-amine
CID 143623191
1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine
CID 142009192
N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine
CID 143375872
N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine
CID 143376028
1-[(2E,4E)-2-[(E)-but-2-en-2-yl]-5-[3-(dimethylamino)propoxy]hexa-2,4-dienyl]-N,N-dimethylpiperidin-3-amine
CID 143623192

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethyl-N-methylpiperidin-4-amine?
The IUPAC name of N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethyl-N-methylpiperidin-4-amine (CID 143375786) is N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethyl-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethyl-N-methylpiperidin-4-amine?
The canonical SMILES for N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethyl-N-methylpiperidin-4-amine is C=C(/C=C(\C)OCC)CN(C)C1CCN(CC)CC1.
What is the InChIKey of N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethyl-N-methylpiperidin-4-amine?
The InChIKey is IPZGJBWCTZFHMZ-NTCAYCPXSA-N. The full InChI is InChI=1S/C16H30N2O/c1-6-18-10-8-16(9-11-18)17(5)13-14(3)12-15(4)19-7-2/h12,16H,3,6-11,13H2,1-2,4-5H3/b15-12+.
What are the key properties of N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethyl-N-methylpiperidin-4-amine?
N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethyl-N-methylpiperidin-4-amine has a molecular weight of 266.43 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 143375786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).