(3R)-1-but-3-en-2-yl-N-propan-2-ylpiperidin-3-amine

C12H24N2 — CID 166764327

IUPAC(3R)-1-but-3-en-2-yl-N-propan-2-ylpiperidin-3-amine
SMILESC=CC(C)N1CCC[C@@H](NC(C)C)C1
InChIInChI=1S/C12H24N2/c1-5-11(4)14-8-6-7-12(9-14)13-10(2)3/h5,10-13H,1,6-9H2,2-4H3/t11?,12-/m1/s1
InChIKeyGQOQFWZNLHBLOV-PIJUOVFKSA-N
MW196.34 g/mol
LogP2.02
Rot. Bonds4

About (3R)-1-but-3-en-2-yl-N-propan-2-ylpiperidin-3-amine

(3R)-1-but-3-en-2-yl-N-propan-2-ylpiperidin-3-amine (PubChem CID 166764327) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (3R)-1-but-3-en-2-yl-N-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-but-3-en-2-yl-N-propan-2-ylpiperidin-3-amine
PubChem CID166764327
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(3R)-1-but-3-en-2-yl-N-propan-2-ylpiperidin-3-amine
SMILESC=CC(C)N1CCC[C@@H](NC(C)C)C1
InChIInChI=1S/C12H24N2/c1-5-11(4)14-8-6-7-12(9-14)13-10(2)3/h5,10-13H,1,6-9H2,2-4H3/t11?,12-/m1/s1
InChIKeyGQOQFWZNLHBLOV-PIJUOVFKSA-N
XLogP2.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-but-3-en-2-yl-N-propan-2-ylpiperidin-3-amine?
The IUPAC name of (3R)-1-but-3-en-2-yl-N-propan-2-ylpiperidin-3-amine (CID 166764327) is (3R)-1-but-3-en-2-yl-N-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for (3R)-1-but-3-en-2-yl-N-propan-2-ylpiperidin-3-amine?
The canonical SMILES for (3R)-1-but-3-en-2-yl-N-propan-2-ylpiperidin-3-amine is C=CC(C)N1CCC[C@@H](NC(C)C)C1.
What is the InChIKey of (3R)-1-but-3-en-2-yl-N-propan-2-ylpiperidin-3-amine?
The InChIKey is GQOQFWZNLHBLOV-PIJUOVFKSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-11(4)14-8-6-7-12(9-14)13-10(2)3/h5,10-13H,1,6-9H2,2-4H3/t11?,12-/m1/s1.
What are the key properties of (3R)-1-but-3-en-2-yl-N-propan-2-ylpiperidin-3-amine?
(3R)-1-but-3-en-2-yl-N-propan-2-ylpiperidin-3-amine has a molecular weight of 196.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-but-3-en-2-yl-N-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 166764327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).