2-(4-tert-butylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine

C15H30N2 — CID 62569929

IUPAC2-(4-tert-butylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H30N2/c1-6-9-16-12-13(2)17-10-7-14(8-11-17)15(3,4)5/h6,13-14,16H,1,7-12H2,2-5H3
InChIKeyOHFPWLQEFUCBSS-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.91
Rot. Bonds5

About 2-(4-tert-butylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine

2-(4-tert-butylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine (PubChem CID 62569929) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine
PubChem CID62569929
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2-(4-tert-butylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H30N2/c1-6-9-16-12-13(2)17-10-7-14(8-11-17)15(3,4)5/h6,13-14,16H,1,7-12H2,2-5H3
InChIKeyOHFPWLQEFUCBSS-UHFFFAOYSA-N
XLogP2.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine (CID 62569929) is 2-(4-tert-butylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine is C=CCNCC(C)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine?
The InChIKey is OHFPWLQEFUCBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-6-9-16-12-13(2)17-10-7-14(8-11-17)15(3,4)5/h6,13-14,16H,1,7-12H2,2-5H3.
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine?
2-(4-tert-butylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 62569929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).