N-methyl-N-propylcyclobutanamine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol

C18H39N3O — CID 155750743

IUPACN-methyl-N-propylcyclobutanamine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
SMILESCC(C)CN1CCN(CCO)CC1.CCCN(C)C1CCC1
InChIInChI=1S/C10H22N2O.C8H17N/c1-10(2)9-12-5-3-11(4-6-12)7-8-13;1-3-7-9(2)8-5-4-6-8/h10,13H,3-9H2,1-2H3;8H,3-7H2,1-2H3
InChIKeyUATLLJBSLAFCNI-UHFFFAOYSA-N
MW313.53 g/mol
LogP2.13
Rot. Bonds7

About N-methyl-N-propylcyclobutanamine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol

N-methyl-N-propylcyclobutanamine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol (PubChem CID 155750743) has the molecular formula C18H39N3O and a molecular weight of 313.53 g/mol. Its IUPAC name is N-methyl-N-propylcyclobutanamine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound NameN-methyl-N-propylcyclobutanamine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
PubChem CID155750743
Molecular FormulaC18H39N3O
Molecular Weight313.53 g/mol
Exact Mass313.31
IUPAC NameN-methyl-N-propylcyclobutanamine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
SMILESCC(C)CN1CCN(CCO)CC1.CCCN(C)C1CCC1
InChIInChI=1S/C10H22N2O.C8H17N/c1-10(2)9-12-5-3-11(4-6-12)7-8-13;1-3-7-9(2)8-5-4-6-8/h10,13H,3-9H2,1-2H3;8H,3-7H2,1-2H3
InChIKeyUATLLJBSLAFCNI-UHFFFAOYSA-N
XLogP2.13
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.53
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-propylcyclobutanamine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol 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

2-(4-Cyclobutylpiperazin-1-yl)ethan-1-ol
CID 121215391
[(2R,5S)-1,4-dimethyl-5-propan-2-ylpiperazin-2-yl]methanol
CID 135011279
2-[1,3-Bis(diethylamino)propan-2-yl-(2-methylpropyl)amino]ethanol
CID 235053
2-[3,5-Diethyl-4-(2-hydroxyethyl)piperazin-1-yl]ethanol
CID 19890001
2-[3-Ethyl-4-(2-hydroxyethyl)piperazin-1-yl]ethanol
CID 20069606
2-(3-Ethyl-4-propylpiperazin-1-yl)ethanol
CID 20069936
2-(3,4-Diethylpiperazin-1-yl)ethanol
CID 20069992
2-(3-Ethyl-4-methylpiperazin-1-yl)ethanol
CID 20070013
2-(4-Isopentylpiperazin-1-yl)ethan-1-ol
CID 53530003
2-[4-(2-Methylbutyl)piperazin-1-yl]ethanol
CID 62105532
2-(5-Ethyl-2,4-dimethylpiperazin-1-yl)ethanol
CID 67567302
2-(4-Tert-butyl-3-methylpiperazin-1-yl)ethanol
CID 67976426

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propylcyclobutanamine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol?
The IUPAC name of N-methyl-N-propylcyclobutanamine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol (CID 155750743) is N-methyl-N-propylcyclobutanamine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol.
What is the SMILES notation for N-methyl-N-propylcyclobutanamine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol?
The canonical SMILES for N-methyl-N-propylcyclobutanamine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol is CC(C)CN1CCN(CCO)CC1.CCCN(C)C1CCC1.
What is the InChIKey of N-methyl-N-propylcyclobutanamine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol?
The InChIKey is UATLLJBSLAFCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O.C8H17N/c1-10(2)9-12-5-3-11(4-6-12)7-8-13;1-3-7-9(2)8-5-4-6-8/h10,13H,3-9H2,1-2H3;8H,3-7H2,1-2H3.
What are the key properties of N-methyl-N-propylcyclobutanamine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol?
N-methyl-N-propylcyclobutanamine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol has a molecular weight of 313.53 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propylcyclobutanamine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 155750743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).