(3R)-1-tert-butyl-N-prop-2-enylpiperidin-3-amine

C12H24N2 — CID 67033739

IUPAC(3R)-1-tert-butyl-N-prop-2-enylpiperidin-3-amine
SMILESC=CCN[C@@H]1CCCN(C(C)(C)C)C1
InChIInChI=1S/C12H24N2/c1-5-8-13-11-7-6-9-14(10-11)12(2,3)4/h5,11,13H,1,6-10H2,2-4H3/t11-/m1/s1
InChIKeyQXWUKBGLLKWNNC-LLVKDONJSA-N
MW196.34 g/mol
LogP2.02
Rot. Bonds3

About (3R)-1-tert-butyl-N-prop-2-enylpiperidin-3-amine

(3R)-1-tert-butyl-N-prop-2-enylpiperidin-3-amine (PubChem CID 67033739) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (3R)-1-tert-butyl-N-prop-2-enylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-tert-butyl-N-prop-2-enylpiperidin-3-amine
PubChem CID67033739
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(3R)-1-tert-butyl-N-prop-2-enylpiperidin-3-amine
SMILESC=CCN[C@@H]1CCCN(C(C)(C)C)C1
InChIInChI=1S/C12H24N2/c1-5-8-13-11-7-6-9-14(10-11)12(2,3)4/h5,11,13H,1,6-10H2,2-4H3/t11-/m1/s1
InChIKeyQXWUKBGLLKWNNC-LLVKDONJSA-N
XLogP2.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-tert-butyl-N-prop-2-enylpiperidin-3-amine?
The IUPAC name of (3R)-1-tert-butyl-N-prop-2-enylpiperidin-3-amine (CID 67033739) is (3R)-1-tert-butyl-N-prop-2-enylpiperidin-3-amine.
What is the SMILES notation for (3R)-1-tert-butyl-N-prop-2-enylpiperidin-3-amine?
The canonical SMILES for (3R)-1-tert-butyl-N-prop-2-enylpiperidin-3-amine is C=CCN[C@@H]1CCCN(C(C)(C)C)C1.
What is the InChIKey of (3R)-1-tert-butyl-N-prop-2-enylpiperidin-3-amine?
The InChIKey is QXWUKBGLLKWNNC-LLVKDONJSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-8-13-11-7-6-9-14(10-11)12(2,3)4/h5,11,13H,1,6-10H2,2-4H3/t11-/m1/s1.
What are the key properties of (3R)-1-tert-butyl-N-prop-2-enylpiperidin-3-amine?
(3R)-1-tert-butyl-N-prop-2-enylpiperidin-3-amine has a molecular weight of 196.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-tert-butyl-N-prop-2-enylpiperidin-3-amine is sourced from PubChem (CID 67033739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).