N-tert-butyl-1-(2-prop-2-enylpiperidin-1-yl)methanimine

C13H24N2 — CID 13283831

IUPACN-tert-butyl-1-(2-prop-2-enylpiperidin-1-yl)methanimine
SMILESC=CCC1CCCCN1/C=N/C(C)(C)C
InChIInChI=1S/C13H24N2/c1-5-8-12-9-6-7-10-15(12)11-14-13(2,3)4/h5,11-12H,1,6-10H2,2-4H3/b14-11+
InChIKeyLLWDKEWNQJNHSH-SDNWHVSQSA-N
MW208.35 g/mol
LogP3.24
Rot. Bonds3

About N-tert-butyl-1-(2-prop-2-enylpiperidin-1-yl)methanimine

N-tert-butyl-1-(2-prop-2-enylpiperidin-1-yl)methanimine (PubChem CID 13283831) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-tert-butyl-1-(2-prop-2-enylpiperidin-1-yl)methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-(2-prop-2-enylpiperidin-1-yl)methanimine
PubChem CID13283831
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-tert-butyl-1-(2-prop-2-enylpiperidin-1-yl)methanimine
SMILESC=CCC1CCCCN1/C=N/C(C)(C)C
InChIInChI=1S/C13H24N2/c1-5-8-12-9-6-7-10-15(12)11-14-13(2,3)4/h5,11-12H,1,6-10H2,2-4H3/b14-11+
InChIKeyLLWDKEWNQJNHSH-SDNWHVSQSA-N
XLogP3.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(2-prop-2-enylpiperidin-1-yl)methanimine?
The IUPAC name of N-tert-butyl-1-(2-prop-2-enylpiperidin-1-yl)methanimine (CID 13283831) is N-tert-butyl-1-(2-prop-2-enylpiperidin-1-yl)methanimine.
What is the SMILES notation for N-tert-butyl-1-(2-prop-2-enylpiperidin-1-yl)methanimine?
The canonical SMILES for N-tert-butyl-1-(2-prop-2-enylpiperidin-1-yl)methanimine is C=CCC1CCCCN1/C=N/C(C)(C)C.
What is the InChIKey of N-tert-butyl-1-(2-prop-2-enylpiperidin-1-yl)methanimine?
The InChIKey is LLWDKEWNQJNHSH-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H24N2/c1-5-8-12-9-6-7-10-15(12)11-14-13(2,3)4/h5,11-12H,1,6-10H2,2-4H3/b14-11+.
What are the key properties of N-tert-butyl-1-(2-prop-2-enylpiperidin-1-yl)methanimine?
N-tert-butyl-1-(2-prop-2-enylpiperidin-1-yl)methanimine has a molecular weight of 208.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(2-prop-2-enylpiperidin-1-yl)methanimine is sourced from PubChem (CID 13283831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).