tert-butyl 2-[2-[[(E)-pent-3-enyl]amino]propyl]piperidine-1-carboxylate

C18H34N2O2 — CID 104861282

IUPACtert-butyl 2-[2-[[(E)-pent-3-enyl]amino]propyl]piperidine-1-carboxylate
SMILESC/C=C/CCNC(C)CC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H34N2O2/c1-6-7-9-12-19-15(2)14-16-11-8-10-13-20(16)17(21)22-18(3,4)5/h6-7,15-16,19H,8-14H2,1-5H3/b7-6+
InChIKeyRXQXATGRNIUAAA-VOTSOKGWSA-N
MW310.48 g/mol
LogP4.11
Rot. Bonds6

About tert-butyl 2-[2-[[(E)-pent-3-enyl]amino]propyl]piperidine-1-carboxylate

tert-butyl 2-[2-[[(E)-pent-3-enyl]amino]propyl]piperidine-1-carboxylate (PubChem CID 104861282) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl 2-[2-[[(E)-pent-3-enyl]amino]propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-[[(E)-pent-3-enyl]amino]propyl]piperidine-1-carboxylate
PubChem CID104861282
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl 2-[2-[[(E)-pent-3-enyl]amino]propyl]piperidine-1-carboxylate
SMILESC/C=C/CCNC(C)CC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H34N2O2/c1-6-7-9-12-19-15(2)14-16-11-8-10-13-20(16)17(21)22-18(3,4)5/h6-7,15-16,19H,8-14H2,1-5H3/b7-6+
InChIKeyRXQXATGRNIUAAA-VOTSOKGWSA-N
XLogP4.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[2-(4-aminobutylamino)propyl]piperidine-1-carboxylate
CID 103723964
tert-butyl 2-[2-(2-cyanoethylamino)propyl]piperidine-1-carboxylate
CID 79537473
tert-butyl 2-[2-(2-aminoethylamino)propyl]pyrrolidine-1-carboxylate
CID 79540794
tert-butyl 2-[2-(pent-4-ynylamino)propyl]azepane-1-carboxylate
CID 106220705
tert-butyl 2-[2-[(4-amino-4-oxobutyl)amino]propyl]pyrrolidine-1-carboxylate
CID 103723630
tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate
CID 82687309
tert-butyl 2-[2-(2,2,2-trifluoroethylamino)propyl]piperidine-1-carboxylate
CID 103723920
tert-butyl 2-[2-(3-methylbutan-2-ylamino)propyl]piperidine-1-carboxylate
CID 103723941
tert-butyl 2-[2-(3-ethenoxypropylamino)propyl]piperidine-1-carboxylate
CID 103723939
tert-butyl 2-[2-(2-ethoxyethylamino)propyl]pyrrolidine-1-carboxylate
CID 79537441
tert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate
CID 79540136
tert-butyl 2-[2-[(2-hydroxycyclohexyl)methylamino]propyl]piperidine-1-carboxylate
CID 113248702

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[[(E)-pent-3-enyl]amino]propyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-[[(E)-pent-3-enyl]amino]propyl]piperidine-1-carboxylate (CID 104861282) is tert-butyl 2-[2-[[(E)-pent-3-enyl]amino]propyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-[[(E)-pent-3-enyl]amino]propyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-[[(E)-pent-3-enyl]amino]propyl]piperidine-1-carboxylate is C/C=C/CCNC(C)CC1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-[[(E)-pent-3-enyl]amino]propyl]piperidine-1-carboxylate?
The InChIKey is RXQXATGRNIUAAA-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-6-7-9-12-19-15(2)14-16-11-8-10-13-20(16)17(21)22-18(3,4)5/h6-7,15-16,19H,8-14H2,1-5H3/b7-6+.
What are the key properties of tert-butyl 2-[2-[[(E)-pent-3-enyl]amino]propyl]piperidine-1-carboxylate?
tert-butyl 2-[2-[[(E)-pent-3-enyl]amino]propyl]piperidine-1-carboxylate has a molecular weight of 310.48 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[[(E)-pent-3-enyl]amino]propyl]piperidine-1-carboxylate is sourced from PubChem (CID 104861282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).