(2S,5R)-2,5-dimethyl-4-propan-2-ylpiperazin-1-amine

C9H21N3 — CID 155040409

IUPAC(2S,5R)-2,5-dimethyl-4-propan-2-ylpiperazin-1-amine
SMILESCC(C)N1C[C@H](C)N(N)C[C@H]1C
InChIInChI=1S/C9H21N3/c1-7(2)11-5-9(4)12(10)6-8(11)3/h7-9H,5-6,10H2,1-4H3/t8-,9+/m1/s1
InChIKeyJOFNPBFRGWTCTA-BDAKNGLRSA-N
MW171.29 g/mol
LogP0.66
Rot. Bonds1

About (2S,5R)-2,5-dimethyl-4-propan-2-ylpiperazin-1-amine

(2S,5R)-2,5-dimethyl-4-propan-2-ylpiperazin-1-amine (PubChem CID 155040409) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is (2S,5R)-2,5-dimethyl-4-propan-2-ylpiperazin-1-amine.

Molecular Properties

Compound Name(2S,5R)-2,5-dimethyl-4-propan-2-ylpiperazin-1-amine
PubChem CID155040409
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name(2S,5R)-2,5-dimethyl-4-propan-2-ylpiperazin-1-amine
SMILESCC(C)N1C[C@H](C)N(N)C[C@H]1C
InChIInChI=1S/C9H21N3/c1-7(2)11-5-9(4)12(10)6-8(11)3/h7-9H,5-6,10H2,1-4H3/t8-,9+/m1/s1
InChIKeyJOFNPBFRGWTCTA-BDAKNGLRSA-N
XLogP0.66
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,5R)-2,5-dimethyl-4-propan-2-ylpiperazin-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

[(2S,5S)-5-methyl-1,4-di(propan-2-yl)piperazin-2-yl]methanol
CID 171587567
CID 166489286
CID 166489286
2-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylaziridine
CID 159786270
2-(5-methyl-1-propan-2-ylpyrrolidin-3-yl)ethanamine
CID 83846190
(2S)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291233
(2S)-2-methyl-1-propan-2-ylazetidine
CID 118390770
(5R)-2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane
CID 170629504
2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane
CID 170629635
2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane
CID 138722839
(2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine
CID 118670818
2-fluoro-1-propan-2-ylaziridine
CID 166046401
(2R)-4-(methoxymethyl)-2-methyl-1-propan-2-ylpyrrolidine
CID 89094421

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2,5-dimethyl-4-propan-2-ylpiperazin-1-amine?
The IUPAC name of (2S,5R)-2,5-dimethyl-4-propan-2-ylpiperazin-1-amine (CID 155040409) is (2S,5R)-2,5-dimethyl-4-propan-2-ylpiperazin-1-amine.
What is the SMILES notation for (2S,5R)-2,5-dimethyl-4-propan-2-ylpiperazin-1-amine?
The canonical SMILES for (2S,5R)-2,5-dimethyl-4-propan-2-ylpiperazin-1-amine is CC(C)N1C[C@H](C)N(N)C[C@H]1C.
What is the InChIKey of (2S,5R)-2,5-dimethyl-4-propan-2-ylpiperazin-1-amine?
The InChIKey is JOFNPBFRGWTCTA-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H21N3/c1-7(2)11-5-9(4)12(10)6-8(11)3/h7-9H,5-6,10H2,1-4H3/t8-,9+/m1/s1.
What are the key properties of (2S,5R)-2,5-dimethyl-4-propan-2-ylpiperazin-1-amine?
(2S,5R)-2,5-dimethyl-4-propan-2-ylpiperazin-1-amine has a molecular weight of 171.29 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,5-dimethyl-4-propan-2-ylpiperazin-1-amine is sourced from PubChem (CID 155040409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).