N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine

C15H31N3O — CID 64850571

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NCC2CN(C)CCN2C)C1(C)C
InChIInChI=1S/C15H31N3O/c1-6-19-14-9-13(15(14,2)3)16-10-12-11-17(4)7-8-18(12)5/h12-14,16H,6-11H2,1-5H3
InChIKeyNQOCRAMBXVPSMY-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.03
Rot. Bonds5

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine

N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine (PubChem CID 64850571) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
PubChem CID64850571
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NCC2CN(C)CCN2C)C1(C)C
InChIInChI=1S/C15H31N3O/c1-6-19-14-9-13(15(14,2)3)16-10-12-11-17(4)7-8-18(12)5/h12-14,16H,6-11H2,1-5H3
InChIKeyNQOCRAMBXVPSMY-UHFFFAOYSA-N
XLogP1.03
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine (CID 64850571) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine is CCOC1CC(NCC2CN(C)CCN2C)C1(C)C.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The InChIKey is NQOCRAMBXVPSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-6-19-14-9-13(15(14,2)3)16-10-12-11-17(4)7-8-18(12)5/h12-14,16H,6-11H2,1-5H3.
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 64850571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).