ethanamine;[(2E)-2-prop-2-enylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate

C17H31N3O2 — CID 143198463

IUPACethanamine;[(2E)-2-prop-2-enylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate
SMILESC=C/C=C(\CC=C)COC(=O)NCC1CCCNC1.CCN
InChIInChI=1S/C15H24N2O2.C2H7N/c1-3-6-13(7-4-2)12-19-15(18)17-11-14-8-5-9-16-10-14;1-2-3/h3-4,6,14,16H,1-2,5,7-12H2,(H,17,18);2-3H2,1H3/b13-6+;
InChIKeyWYHRMURIRMUOQO-AWFSDRIXSA-N
MW309.45 g/mol
LogP2.37
Rot. Bonds7

About ethanamine;[(2E)-2-prop-2-enylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate

ethanamine;[(2E)-2-prop-2-enylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate (PubChem CID 143198463) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is ethanamine;[(2E)-2-prop-2-enylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate.

Molecular Properties

Compound Nameethanamine;[(2E)-2-prop-2-enylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate
PubChem CID143198463
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Nameethanamine;[(2E)-2-prop-2-enylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate
SMILESC=C/C=C(\CC=C)COC(=O)NCC1CCCNC1.CCN
InChIInChI=1S/C15H24N2O2.C2H7N/c1-3-6-13(7-4-2)12-19-15(18)17-11-14-8-5-9-16-10-14;1-2-3/h3-4,6,14,16H,1-2,5,7-12H2,(H,17,18);2-3H2,1H3/b13-6+;
InChIKeyWYHRMURIRMUOQO-AWFSDRIXSA-N
XLogP2.37
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethanamine;[(2E)-2-prop-2-enylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate?
The IUPAC name of ethanamine;[(2E)-2-prop-2-enylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate (CID 143198463) is ethanamine;[(2E)-2-prop-2-enylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate.
What is the SMILES notation for ethanamine;[(2E)-2-prop-2-enylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate?
The canonical SMILES for ethanamine;[(2E)-2-prop-2-enylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate is C=C/C=C(\CC=C)COC(=O)NCC1CCCNC1.CCN.
What is the InChIKey of ethanamine;[(2E)-2-prop-2-enylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate?
The InChIKey is WYHRMURIRMUOQO-AWFSDRIXSA-N. The full InChI is InChI=1S/C15H24N2O2.C2H7N/c1-3-6-13(7-4-2)12-19-15(18)17-11-14-8-5-9-16-10-14;1-2-3/h3-4,6,14,16H,1-2,5,7-12H2,(H,17,18);2-3H2,1H3/b13-6+;.
What are the key properties of ethanamine;[(2E)-2-prop-2-enylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate?
ethanamine;[(2E)-2-prop-2-enylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate has a molecular weight of 309.45 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;[(2E)-2-prop-2-enylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate is sourced from PubChem (CID 143198463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).