ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N-methylpiperidin-4-amine;N-methylmethanamine;propane

C21H45N3 — CID 142961074

IUPACethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N-methylpiperidin-4-amine;N-methylmethanamine;propane
SMILESC=C/C(=C\C=C/C)CN1CCC(NC)CC1.CC.CCC.CNC
InChIInChI=1S/C14H24N2.C3H8.C2H7N.C2H6/c1-4-6-7-13(5-2)12-16-10-8-14(15-3)9-11-16;2*1-3-2;1-2/h4-7,14-15H,2,8-12H2,1,3H3;3H2,1-2H3;3H,1-2H3;1-2H3/b6-4-,13-7+;;;
InChIKeyIFXWTDVAUXVORV-CKXAAARKSA-N
MW339.61 g/mol
LogP4.64
Rot. Bonds5

About ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N-methylpiperidin-4-amine;N-methylmethanamine;propane

ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N-methylpiperidin-4-amine;N-methylmethanamine;propane (PubChem CID 142961074) has the molecular formula C21H45N3 and a molecular weight of 339.61 g/mol. Its IUPAC name is ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N-methylpiperidin-4-amine;N-methylmethanamine;propane.

Molecular Properties

Compound Nameethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N-methylpiperidin-4-amine;N-methylmethanamine;propane
PubChem CID142961074
Molecular FormulaC21H45N3
Molecular Weight339.61 g/mol
Exact Mass339.36
IUPAC Nameethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N-methylpiperidin-4-amine;N-methylmethanamine;propane
SMILESC=C/C(=C\C=C/C)CN1CCC(NC)CC1.CC.CCC.CNC
InChIInChI=1S/C14H24N2.C3H8.C2H7N.C2H6/c1-4-6-7-13(5-2)12-16-10-8-14(15-3)9-11-16;2*1-3-2;1-2/h4-7,14-15H,2,8-12H2,1,3H3;3H2,1-2H3;3H,1-2H3;1-2H3/b6-4-,13-7+;;;
InChIKeyIFXWTDVAUXVORV-CKXAAARKSA-N
XLogP4.64
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.61
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
N-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine
CID 143209317
1-[1-[(2Z,4Z)-2-ethenyl-3-fluoro-5-methylhepta-2,4,6-trienyl]piperidin-4-yl]-2-ethylpiperazine
CID 143280157
1-methyl-N-[(3Z,5Z)-3-(trifluoromethyl)hepta-1,3,5-trien-4-yl]piperidin-4-amine
CID 144622857
ethane;N-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-1-methylpiperidin-4-amine
CID 144962807
N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]-1-methylpiperidin-4-amine
CID 145515573
N-[(2E)-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienyl]-1-methylpiperidin-4-amine
CID 145520189
N-[(3Z,5E)-5-fluoro-2-methylidenehepta-3,5-dienyl]-1-methylpiperidin-4-amine
CID 164158806
1-[(2Z,4Z)-3-fluoro-5-methylhepta-2,4,6-trien-2-yl]-N-methylpiperidin-4-amine
CID 167025559
(2S,4R)-2-[(3E,5Z)-4-fluorohepta-1,3,5-trien-2-yl]-N-methyl-1-propan-2-ylpiperidin-4-amine
CID 169644113
[3-(2-Methyl-piperidin-1-yl)-propyl]-(1,5,9-trimethyl-deca-4,8-dienyl)-amine
CID 6480533
1-[(2Z,4Z)-3-fluoro-2,5-dimethylhepta-2,4,6-trienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine
CID 143279444

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N-methylpiperidin-4-amine;N-methylmethanamine;propane?
The IUPAC name of ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N-methylpiperidin-4-amine;N-methylmethanamine;propane (CID 142961074) is ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N-methylpiperidin-4-amine;N-methylmethanamine;propane.
What is the SMILES notation for ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N-methylpiperidin-4-amine;N-methylmethanamine;propane?
The canonical SMILES for ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N-methylpiperidin-4-amine;N-methylmethanamine;propane is C=C/C(=C\C=C/C)CN1CCC(NC)CC1.CC.CCC.CNC.
What is the InChIKey of ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N-methylpiperidin-4-amine;N-methylmethanamine;propane?
The InChIKey is IFXWTDVAUXVORV-CKXAAARKSA-N. The full InChI is InChI=1S/C14H24N2.C3H8.C2H7N.C2H6/c1-4-6-7-13(5-2)12-16-10-8-14(15-3)9-11-16;2*1-3-2;1-2/h4-7,14-15H,2,8-12H2,1,3H3;3H2,1-2H3;3H,1-2H3;1-2H3/b6-4-,13-7+;;;.
What are the key properties of ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N-methylpiperidin-4-amine;N-methylmethanamine;propane?
ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N-methylpiperidin-4-amine;N-methylmethanamine;propane has a molecular weight of 339.61 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N-methylpiperidin-4-amine;N-methylmethanamine;propane is sourced from PubChem (CID 142961074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).