[1-(3-ethyl-4-methylpiperazin-1-yl)-3-methylcyclobutyl]methanamine

C13H27N3 — CID 103562910

IUPAC[1-(3-ethyl-4-methylpiperazin-1-yl)-3-methylcyclobutyl]methanamine
SMILESCCC1CN(C2(CN)CC(C)C2)CCN1C
InChIInChI=1S/C13H27N3/c1-4-12-9-16(6-5-15(12)3)13(10-14)7-11(2)8-13/h11-12H,4-10,14H2,1-3H3
InChIKeyXPXZSZOQZYRKEQ-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.14
Rot. Bonds3

About [1-(3-ethyl-4-methylpiperazin-1-yl)-3-methylcyclobutyl]methanamine

[1-(3-ethyl-4-methylpiperazin-1-yl)-3-methylcyclobutyl]methanamine (PubChem CID 103562910) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is [1-(3-ethyl-4-methylpiperazin-1-yl)-3-methylcyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3-ethyl-4-methylpiperazin-1-yl)-3-methylcyclobutyl]methanamine
PubChem CID103562910
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name[1-(3-ethyl-4-methylpiperazin-1-yl)-3-methylcyclobutyl]methanamine
SMILESCCC1CN(C2(CN)CC(C)C2)CCN1C
InChIInChI=1S/C13H27N3/c1-4-12-9-16(6-5-15(12)3)13(10-14)7-11(2)8-13/h11-12H,4-10,14H2,1-3H3
InChIKeyXPXZSZOQZYRKEQ-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine
CID 79950463
[1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylcyclopentyl]methanamine
CID 79857357
[1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine
CID 79847299
[3-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclobutyl]methanamine
CID 103563041
[1-(4,4-diethylpiperidin-1-yl)-3-methylcyclobutyl]methanamine
CID 103562886
[1-(3-tert-butylpyrrolidin-1-yl)-3-methylcyclobutyl]methanamine
CID 103563130
[1-(3-ethoxypiperidin-1-yl)-3-methylcyclobutyl]methanamine
CID 103562756
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylcyclobutyl]methanamine
CID 103562954
(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine
CID 159003358
[3,5-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)cyclohexyl]methanamine
CID 103494626
1-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide
CID 80594285
[3-methyl-1-(4-propylazepan-1-yl)cyclobutyl]methanamine
CID 103562947

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethyl-4-methylpiperazin-1-yl)-3-methylcyclobutyl]methanamine?
The IUPAC name of [1-(3-ethyl-4-methylpiperazin-1-yl)-3-methylcyclobutyl]methanamine (CID 103562910) is [1-(3-ethyl-4-methylpiperazin-1-yl)-3-methylcyclobutyl]methanamine.
What is the SMILES notation for [1-(3-ethyl-4-methylpiperazin-1-yl)-3-methylcyclobutyl]methanamine?
The canonical SMILES for [1-(3-ethyl-4-methylpiperazin-1-yl)-3-methylcyclobutyl]methanamine is CCC1CN(C2(CN)CC(C)C2)CCN1C.
What is the InChIKey of [1-(3-ethyl-4-methylpiperazin-1-yl)-3-methylcyclobutyl]methanamine?
The InChIKey is XPXZSZOQZYRKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-4-12-9-16(6-5-15(12)3)13(10-14)7-11(2)8-13/h11-12H,4-10,14H2,1-3H3.
What are the key properties of [1-(3-ethyl-4-methylpiperazin-1-yl)-3-methylcyclobutyl]methanamine?
[1-(3-ethyl-4-methylpiperazin-1-yl)-3-methylcyclobutyl]methanamine has a molecular weight of 225.38 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethyl-4-methylpiperazin-1-yl)-3-methylcyclobutyl]methanamine is sourced from PubChem (CID 103562910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).