N-[[2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine

C15H31N3 — CID 80999106

IUPACN-[[2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine
SMILESCCC1CN(C2CCC2CNC(C)C)CCN1C
InChIInChI=1S/C15H31N3/c1-5-14-11-18(9-8-17(14)4)15-7-6-13(15)10-16-12(2)3/h12-16H,5-11H2,1-4H3
InChIKeyNFQJNHJZDRARPT-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds5

About N-[[2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine

N-[[2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine (PubChem CID 80999106) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[[2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine
PubChem CID80999106
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-[[2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine
SMILESCCC1CN(C2CCC2CNC(C)C)CCN1C
InChIInChI=1S/C15H31N3/c1-5-14-11-18(9-8-17(14)4)15-7-6-13(15)10-16-12(2)3/h12-16H,5-11H2,1-4H3
InChIKeyNFQJNHJZDRARPT-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethyl-4-methylpiperazin-1-yl)cyclopentan-1-amine
CID 63609140
N-[[2-(3,3,4-trimethylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine
CID 80999932
N-[[2-(3,5-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-2-amine
CID 80998052
N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine
CID 80998125
N-[[2-(3,3-diethylpyrrolidin-1-yl)cyclobutyl]methyl]propan-2-amine
CID 81005595
2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutane-1-carboxylic acid
CID 80996398
N-[[(2S)-1-methylazetidin-2-yl]methyl]propan-2-amine
CID 170657574
3-(3-ethyl-4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine
CID 63619642
2-(3-ethyl-4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 63619710
N-[[1-(2-ethylcyclohexyl)piperidin-3-yl]methyl]propan-2-amine
CID 63863250
4-(3-ethyl-4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine
CID 55215458
2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-N-propylcyclohexan-1-amine
CID 63609506

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine (CID 80999106) is N-[[2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine is CCC1CN(C2CCC2CNC(C)C)CCN1C.
What is the InChIKey of N-[[2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is NFQJNHJZDRARPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-5-14-11-18(9-8-17(14)4)15-7-6-13(15)10-16-12(2)3/h12-16H,5-11H2,1-4H3.
What are the key properties of N-[[2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine?
N-[[2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 80999106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).