(2S,4S)-2-methyl-N-propan-2-ylpiperidin-4-amine

C9H20N2 — CID 95913690

IUPAC(2S,4S)-2-methyl-N-propan-2-ylpiperidin-4-amine
SMILESCC(C)N[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C9H20N2/c1-7(2)11-9-4-5-10-8(3)6-9/h7-11H,4-6H2,1-3H3/t8-,9-/m0/s1
InChIKeyZHICUFZXGLQRJM-IUCAKERBSA-N
MW156.27 g/mol
LogP1.12
Rot. Bonds2

About (2S,4S)-2-methyl-N-propan-2-ylpiperidin-4-amine

(2S,4S)-2-methyl-N-propan-2-ylpiperidin-4-amine (PubChem CID 95913690) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-propan-2-ylpiperidin-4-amine
PubChem CID95913690
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name(2S,4S)-2-methyl-N-propan-2-ylpiperidin-4-amine
SMILESCC(C)N[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C9H20N2/c1-7(2)11-9-4-5-10-8(3)6-9/h7-11H,4-6H2,1-3H3/t8-,9-/m0/s1
InChIKeyZHICUFZXGLQRJM-IUCAKERBSA-N
XLogP1.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,4S)-2-methyl-N-propan-2-ylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-propan-2-ylpiperidin-4-amine?
The IUPAC name of (2S,4S)-2-methyl-N-propan-2-ylpiperidin-4-amine (CID 95913690) is (2S,4S)-2-methyl-N-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for (2S,4S)-2-methyl-N-propan-2-ylpiperidin-4-amine?
The canonical SMILES for (2S,4S)-2-methyl-N-propan-2-ylpiperidin-4-amine is CC(C)N[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of (2S,4S)-2-methyl-N-propan-2-ylpiperidin-4-amine?
The InChIKey is ZHICUFZXGLQRJM-IUCAKERBSA-N. The full InChI is InChI=1S/C9H20N2/c1-7(2)11-9-4-5-10-8(3)6-9/h7-11H,4-6H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-propan-2-ylpiperidin-4-amine?
(2S,4S)-2-methyl-N-propan-2-ylpiperidin-4-amine has a molecular weight of 156.27 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 95913690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).