3-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]cyclobutan-1-amine

C14H29N3O — CID 112554482

IUPAC3-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]cyclobutan-1-amine
SMILESCCOC1CC(NCCCN2CCN(C)CC2)C1
InChIInChI=1S/C14H29N3O/c1-3-18-14-11-13(12-14)15-5-4-6-17-9-7-16(2)8-10-17/h13-15H,3-12H2,1-2H3
InChIKeyHPKRTGQSDSBFJT-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.78
Rot. Bonds7

About 3-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]cyclobutan-1-amine

3-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]cyclobutan-1-amine (PubChem CID 112554482) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]cyclobutan-1-amine
PubChem CID112554482
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]cyclobutan-1-amine
SMILESCCOC1CC(NCCCN2CCN(C)CC2)C1
InChIInChI=1S/C14H29N3O/c1-3-18-14-11-13(12-14)15-5-4-6-17-9-7-16(2)8-10-17/h13-15H,3-12H2,1-2H3
InChIKeyHPKRTGQSDSBFJT-UHFFFAOYSA-N
XLogP0.78
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine
CID 64502067
3-ethoxy-N-(5-methylsulfanylpentyl)cyclobutan-1-amine
CID 104926478
N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]cyclopentanamine
CID 62569104
N-[3-(4-methylpiperazin-1-yl)propyl]-4-propylcyclohexan-1-amine
CID 28656952
4-[(3-ethoxycyclobutyl)amino]butan-2-ol
CID 112554620
3-ethoxy-N-(2-methylsulfinylethyl)cyclobutan-1-amine
CID 115903468
3-ethoxy-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine
CID 112553021
1-(5-ethoxypentyl)-4-methylpiperazine
CID 155702550
3-ethoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
CID 112553169
3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclobutan-1-amine
CID 104859624
N-[2-(3-ethoxycyclobutyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 103163519
3-ethoxy-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine
CID 64850556

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]cyclobutan-1-amine (CID 112554482) is 3-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]cyclobutan-1-amine is CCOC1CC(NCCCN2CCN(C)CC2)C1.
What is the InChIKey of 3-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]cyclobutan-1-amine?
The InChIKey is HPKRTGQSDSBFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-18-14-11-13(12-14)15-5-4-6-17-9-7-16(2)8-10-17/h13-15H,3-12H2,1-2H3.
What are the key properties of 3-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]cyclobutan-1-amine?
3-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]cyclobutan-1-amine has a molecular weight of 255.41 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]cyclobutan-1-amine is sourced from PubChem (CID 112554482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).