3-ethoxy-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine

C15H31N3O — CID 64850556

IUPAC3-ethoxy-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NCCN2CCN(C)CC2)C1(C)C
InChIInChI=1S/C15H31N3O/c1-5-19-14-12-13(15(14,2)3)16-6-7-18-10-8-17(4)9-11-18/h13-14,16H,5-12H2,1-4H3
InChIKeyWMQBKNQSDYIBOH-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.03
Rot. Bonds6

About 3-ethoxy-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine (PubChem CID 64850556) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine
PubChem CID64850556
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-ethoxy-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NCCN2CCN(C)CC2)C1(C)C
InChIInChI=1S/C15H31N3O/c1-5-19-14-12-13(15(14,2)3)16-6-7-18-10-8-17(4)9-11-18/h13-14,16H,5-12H2,1-4H3
InChIKeyWMQBKNQSDYIBOH-UHFFFAOYSA-N
XLogP1.03
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
N-[2-(azepan-1-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65167643
3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 64852708
3-ethoxy-2,2-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutan-1-amine
CID 103921783
3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine
CID 113352099
3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine
CID 104584738
N-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 102977010
3-ethoxy-2,2-dimethyl-N-pent-4-enylcyclobutan-1-amine
CID 107303038
N-(3-ethoxy-2,2-dimethylcyclobutyl)-N',N'-diethylpropane-1,3-diamine
CID 64851694
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]butanoic acid
CID 64852310
trans-(1R,3R)-3-ethoxy-2,2-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclobutan-1-amine
CID 97336063
5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N'-hydroxypentanimidamide
CID 114119503

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine (CID 64850556) is 3-ethoxy-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine is CCOC1CC(NCCN2CCN(C)CC2)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine?
The InChIKey is WMQBKNQSDYIBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-19-14-12-13(15(14,2)3)16-6-7-18-10-8-17(4)9-11-18/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 64850556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).