2-ethenyl-3-piperidin-1-yl-N-propan-2-ylbut-2-en-1-amine

C14H26N2 — CID 123149322

IUPAC2-ethenyl-3-piperidin-1-yl-N-propan-2-ylbut-2-en-1-amine
SMILESC=CC(CNC(C)C)=C(C)N1CCCCC1
InChIInChI=1S/C14H26N2/c1-5-14(11-15-12(2)3)13(4)16-9-7-6-8-10-16/h5,12,15H,1,6-11H2,2-4H3
InChIKeyLUSIOWIRHCSBNQ-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.93
Rot. Bonds5

About 2-ethenyl-3-piperidin-1-yl-N-propan-2-ylbut-2-en-1-amine

2-ethenyl-3-piperidin-1-yl-N-propan-2-ylbut-2-en-1-amine (PubChem CID 123149322) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-ethenyl-3-piperidin-1-yl-N-propan-2-ylbut-2-en-1-amine.

Molecular Properties

Compound Name2-ethenyl-3-piperidin-1-yl-N-propan-2-ylbut-2-en-1-amine
PubChem CID123149322
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2-ethenyl-3-piperidin-1-yl-N-propan-2-ylbut-2-en-1-amine
SMILESC=CC(CNC(C)C)=C(C)N1CCCCC1
InChIInChI=1S/C14H26N2/c1-5-14(11-15-12(2)3)13(4)16-9-7-6-8-10-16/h5,12,15H,1,6-11H2,2-4H3
InChIKeyLUSIOWIRHCSBNQ-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.93
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-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine
CID 143209317
1-methyl-N-[(3Z,5Z)-3-(trifluoromethyl)hepta-1,3,5-trien-4-yl]piperidin-4-amine
CID 144622857
(E)-4,4,4-trifluoro-3-methyl-2-(1-piperidin-1-ylethenyl)-N-propan-2-ylbut-2-en-1-amine
CID 144862403
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
1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)-N-methylpiperidin-4-amine
CID 19761289
4-(Piperidin-1-ylmethyl)-1,2-dihydropyridine
CID 23166923
1-methyl-N-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]piperidin-4-amine
CID 87152342
(3E)-4-methyl-N-(1-piperidin-4-ylethyl)hexa-1,3,5-trien-3-amine
CID 88582926
3-[3-(Dimethylamino)propyl]-6-methyl-1,2-dihydropyridin-5-amine
CID 89060804

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-piperidin-1-yl-N-propan-2-ylbut-2-en-1-amine?
The IUPAC name of 2-ethenyl-3-piperidin-1-yl-N-propan-2-ylbut-2-en-1-amine (CID 123149322) is 2-ethenyl-3-piperidin-1-yl-N-propan-2-ylbut-2-en-1-amine.
What is the SMILES notation for 2-ethenyl-3-piperidin-1-yl-N-propan-2-ylbut-2-en-1-amine?
The canonical SMILES for 2-ethenyl-3-piperidin-1-yl-N-propan-2-ylbut-2-en-1-amine is C=CC(CNC(C)C)=C(C)N1CCCCC1.
What is the InChIKey of 2-ethenyl-3-piperidin-1-yl-N-propan-2-ylbut-2-en-1-amine?
The InChIKey is LUSIOWIRHCSBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-5-14(11-15-12(2)3)13(4)16-9-7-6-8-10-16/h5,12,15H,1,6-11H2,2-4H3.
What are the key properties of 2-ethenyl-3-piperidin-1-yl-N-propan-2-ylbut-2-en-1-amine?
2-ethenyl-3-piperidin-1-yl-N-propan-2-ylbut-2-en-1-amine has a molecular weight of 222.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-piperidin-1-yl-N-propan-2-ylbut-2-en-1-amine is sourced from PubChem (CID 123149322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).