ethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-N-methylpiperidin-4-amine

C17H36N2 — CID 143147784

IUPACethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-N-methylpiperidin-4-amine
SMILESC=C/C=C(\CC)CN1CCC(NC)CC1.CC.CC
InChIInChI=1S/C13H24N2.2C2H6/c1-4-6-12(5-2)11-15-9-7-13(14-3)8-10-15;2*1-2/h4,6,13-14H,1,5,7-11H2,2-3H3;2*1-2H3/b12-6+;;
InChIKeyASNMPVGCUVPJDE-HTFHIHPASA-N
MW268.49 g/mol
LogP4.24
Rot. Bonds5

About ethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-N-methylpiperidin-4-amine

ethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-N-methylpiperidin-4-amine (PubChem CID 143147784) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is ethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Nameethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-N-methylpiperidin-4-amine
PubChem CID143147784
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Nameethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-N-methylpiperidin-4-amine
SMILESC=C/C=C(\CC)CN1CCC(NC)CC1.CC.CC
InChIInChI=1S/C13H24N2.2C2H6/c1-4-6-12(5-2)11-15-9-7-13(14-3)8-10-15;2*1-2/h4,6,13-14H,1,5,7-11H2,2-3H3;2*1-2H3/b12-6+;;
InChIKeyASNMPVGCUVPJDE-HTFHIHPASA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
3-ethyl-6-fluoro-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine
CID 124007959
1-[(3E)-3-ethyl-2,2-difluorohexa-3,5-dienyl]piperidin-4-amine
CID 137467745
(Z)-but-2-ene;N-[(Z)-3-chloro-5,5,5-trifluoro-4-methyl-2-methylidenepent-3-enyl]-N-(2-methylpropyl)piperidin-4-amine
CID 142906960
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
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
cyclopropane;2-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-4-(trifluoromethyl)cyclohepta-1,3,5-triene;piperidin-4-amine
CID 145562956
N-[(3Z,5E)-5-fluoro-2-methylidenehepta-3,5-dienyl]-1-methylpiperidin-4-amine
CID 164158806
(2S,4R)-2-[(3E,5Z)-4-fluorohepta-1,3,5-trien-2-yl]-N-methyl-1-propan-2-ylpiperidin-4-amine
CID 169644113

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-N-methylpiperidin-4-amine?
The IUPAC name of ethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-N-methylpiperidin-4-amine (CID 143147784) is ethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for ethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-N-methylpiperidin-4-amine?
The canonical SMILES for ethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-N-methylpiperidin-4-amine is C=C/C=C(\CC)CN1CCC(NC)CC1.CC.CC.
What is the InChIKey of ethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-N-methylpiperidin-4-amine?
The InChIKey is ASNMPVGCUVPJDE-HTFHIHPASA-N. The full InChI is InChI=1S/C13H24N2.2C2H6/c1-4-6-12(5-2)11-15-9-7-13(14-3)8-10-15;2*1-2/h4,6,13-14H,1,5,7-11H2,2-3H3;2*1-2H3/b12-6+;;.
What are the key properties of ethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-N-methylpiperidin-4-amine?
ethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-N-methylpiperidin-4-amine has a molecular weight of 268.49 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 143147784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).