(2S)-2-[(3R)-4-(3-cyclohexylpropyl)-3-propan-2-ylpiperazin-1-yl]-N,3-dimethylpentan-1-amine

C23H47N3 — CID 45482257

IUPAC(2S)-2-[(3R)-4-(3-cyclohexylpropyl)-3-propan-2-ylpiperazin-1-yl]-N,3-dimethylpentan-1-amine
SMILESCCC(C)[C@@H](CNC)N1CCN(CCCC2CCCCC2)[C@H](C(C)C)C1
InChIInChI=1S/C23H47N3/c1-6-20(4)22(17-24-5)26-16-15-25(23(18-26)19(2)3)14-10-13-21-11-8-7-9-12-21/h19-24H,6-18H2,1-5H3/t20?,22-,23+/m1/s1
InChIKeyWDWUDQLDYWBWLS-LQKDOSGMSA-N
MW365.65 g/mol
LogP4.62
Rot. Bonds10

About (2S)-2-[(3R)-4-(3-cyclohexylpropyl)-3-propan-2-ylpiperazin-1-yl]-N,3-dimethylpentan-1-amine

(2S)-2-[(3R)-4-(3-cyclohexylpropyl)-3-propan-2-ylpiperazin-1-yl]-N,3-dimethylpentan-1-amine (PubChem CID 45482257) has the molecular formula C23H47N3 and a molecular weight of 365.65 g/mol. Its IUPAC name is (2S)-2-[(3R)-4-(3-cyclohexylpropyl)-3-propan-2-ylpiperazin-1-yl]-N,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name(2S)-2-[(3R)-4-(3-cyclohexylpropyl)-3-propan-2-ylpiperazin-1-yl]-N,3-dimethylpentan-1-amine
PubChem CID45482257
Molecular FormulaC23H47N3
Molecular Weight365.65 g/mol
Exact Mass365.38
IUPAC Name(2S)-2-[(3R)-4-(3-cyclohexylpropyl)-3-propan-2-ylpiperazin-1-yl]-N,3-dimethylpentan-1-amine
SMILESCCC(C)[C@@H](CNC)N1CCN(CCCC2CCCCC2)[C@H](C(C)C)C1
InChIInChI=1S/C23H47N3/c1-6-20(4)22(17-24-5)26-16-15-25(23(18-26)19(2)3)14-10-13-21-11-8-7-9-12-21/h19-24H,6-18H2,1-5H3/t20?,22-,23+/m1/s1
InChIKeyWDWUDQLDYWBWLS-LQKDOSGMSA-N
XLogP4.62
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.65
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(3R)-4-(3-cyclohexylpropyl)-3-propan-2-ylpiperazin-1-yl]-N,3-dimethylpentan-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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3R)-4-(3-cyclohexylpropyl)-3-propan-2-ylpiperazin-1-yl]-N,3-dimethylpentan-1-amine?
The IUPAC name of (2S)-2-[(3R)-4-(3-cyclohexylpropyl)-3-propan-2-ylpiperazin-1-yl]-N,3-dimethylpentan-1-amine (CID 45482257) is (2S)-2-[(3R)-4-(3-cyclohexylpropyl)-3-propan-2-ylpiperazin-1-yl]-N,3-dimethylpentan-1-amine.
What is the SMILES notation for (2S)-2-[(3R)-4-(3-cyclohexylpropyl)-3-propan-2-ylpiperazin-1-yl]-N,3-dimethylpentan-1-amine?
The canonical SMILES for (2S)-2-[(3R)-4-(3-cyclohexylpropyl)-3-propan-2-ylpiperazin-1-yl]-N,3-dimethylpentan-1-amine is CCC(C)[C@@H](CNC)N1CCN(CCCC2CCCCC2)[C@H](C(C)C)C1.
What is the InChIKey of (2S)-2-[(3R)-4-(3-cyclohexylpropyl)-3-propan-2-ylpiperazin-1-yl]-N,3-dimethylpentan-1-amine?
The InChIKey is WDWUDQLDYWBWLS-LQKDOSGMSA-N. The full InChI is InChI=1S/C23H47N3/c1-6-20(4)22(17-24-5)26-16-15-25(23(18-26)19(2)3)14-10-13-21-11-8-7-9-12-21/h19-24H,6-18H2,1-5H3/t20?,22-,23+/m1/s1.
What are the key properties of (2S)-2-[(3R)-4-(3-cyclohexylpropyl)-3-propan-2-ylpiperazin-1-yl]-N,3-dimethylpentan-1-amine?
(2S)-2-[(3R)-4-(3-cyclohexylpropyl)-3-propan-2-ylpiperazin-1-yl]-N,3-dimethylpentan-1-amine has a molecular weight of 365.65 g/mol, XLogP of 4.62, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3R)-4-(3-cyclohexylpropyl)-3-propan-2-ylpiperazin-1-yl]-N,3-dimethylpentan-1-amine is sourced from PubChem (CID 45482257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).