(2E,4E)-2-ethenyl-1-N-(1-methylpiperidin-4-yl)hexa-2,4-diene-1,5-diamine

C14H25N3 — CID 143911369

IUPAC(2E,4E)-2-ethenyl-1-N-(1-methylpiperidin-4-yl)hexa-2,4-diene-1,5-diamine
SMILESC=C/C(=C\C=C(/C)N)CNC1CCN(C)CC1
InChIInChI=1S/C14H25N3/c1-4-13(6-5-12(2)15)11-16-14-7-9-17(3)10-8-14/h4-6,14,16H,1,7-11,15H2,2-3H3/b12-5+,13-6+
InChIKeyPWIRBSSIEFFPNL-BYDSPXIWSA-N
MW235.37 g/mol
LogP1.65
Rot. Bonds5

About (2E,4E)-2-ethenyl-1-N-(1-methylpiperidin-4-yl)hexa-2,4-diene-1,5-diamine

(2E,4E)-2-ethenyl-1-N-(1-methylpiperidin-4-yl)hexa-2,4-diene-1,5-diamine (PubChem CID 143911369) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is (2E,4E)-2-ethenyl-1-N-(1-methylpiperidin-4-yl)hexa-2,4-diene-1,5-diamine.

Molecular Properties

Compound Name(2E,4E)-2-ethenyl-1-N-(1-methylpiperidin-4-yl)hexa-2,4-diene-1,5-diamine
PubChem CID143911369
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name(2E,4E)-2-ethenyl-1-N-(1-methylpiperidin-4-yl)hexa-2,4-diene-1,5-diamine
SMILESC=C/C(=C\C=C(/C)N)CNC1CCN(C)CC1
InChIInChI=1S/C14H25N3/c1-4-13(6-5-12(2)15)11-16-14-7-9-17(3)10-8-14/h4-6,14,16H,1,7-11,15H2,2-3H3/b12-5+,13-6+
InChIKeyPWIRBSSIEFFPNL-BYDSPXIWSA-N
XLogP1.65
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 51.65
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-[(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-fluorohexa-1,3,5-trien-2-yl]piperidin-4-amine
CID 145284766
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
(3S,4R)-3-fluoro-1-methyl-N-[(3Z)-7-methylocta-1,3-dien-2-yl]piperidin-4-amine
CID 167291286
5-fluoro-N-methyl-3-methylidene-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine
CID 177223315
N-[(2E,4Z)-2-fluoro-4,6-dimethylhepta-2,4,6-trienyl]-1-methylpiperidin-4-amine
CID 144301221
1-piperidin-4-yl-2H-pyridin-4-amine
CID 19068126

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-ethenyl-1-N-(1-methylpiperidin-4-yl)hexa-2,4-diene-1,5-diamine?
The IUPAC name of (2E,4E)-2-ethenyl-1-N-(1-methylpiperidin-4-yl)hexa-2,4-diene-1,5-diamine (CID 143911369) is (2E,4E)-2-ethenyl-1-N-(1-methylpiperidin-4-yl)hexa-2,4-diene-1,5-diamine.
What is the SMILES notation for (2E,4E)-2-ethenyl-1-N-(1-methylpiperidin-4-yl)hexa-2,4-diene-1,5-diamine?
The canonical SMILES for (2E,4E)-2-ethenyl-1-N-(1-methylpiperidin-4-yl)hexa-2,4-diene-1,5-diamine is C=C/C(=C\C=C(/C)N)CNC1CCN(C)CC1.
What is the InChIKey of (2E,4E)-2-ethenyl-1-N-(1-methylpiperidin-4-yl)hexa-2,4-diene-1,5-diamine?
The InChIKey is PWIRBSSIEFFPNL-BYDSPXIWSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-13(6-5-12(2)15)11-16-14-7-9-17(3)10-8-14/h4-6,14,16H,1,7-11,15H2,2-3H3/b12-5+,13-6+.
What are the key properties of (2E,4E)-2-ethenyl-1-N-(1-methylpiperidin-4-yl)hexa-2,4-diene-1,5-diamine?
(2E,4E)-2-ethenyl-1-N-(1-methylpiperidin-4-yl)hexa-2,4-diene-1,5-diamine has a molecular weight of 235.37 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-ethenyl-1-N-(1-methylpiperidin-4-yl)hexa-2,4-diene-1,5-diamine is sourced from PubChem (CID 143911369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).