N-[[2-(3,3,4-trimethylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine

C15H31N3 — CID 80999932

IUPACN-[[2-(3,3,4-trimethylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC1N1CCN(C)C(C)(C)C1
InChIInChI=1S/C15H31N3/c1-12(2)16-10-13-6-7-14(13)18-9-8-17(5)15(3,4)11-18/h12-14,16H,6-11H2,1-5H3
InChIKeyIKCSLMGJCQOZHN-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds4

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

N-[[2-(3,3,4-trimethylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine (PubChem CID 80999932) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[[2-(3,3,4-trimethylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3,3,4-trimethylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine
PubChem CID80999932
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-[[2-(3,3,4-trimethylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC1N1CCN(C)C(C)(C)C1
InChIInChI=1S/C15H31N3/c1-12(2)16-10-13-6-7-14(13)18-9-8-17(5)15(3,4)11-18/h12-14,16H,6-11H2,1-5H3
InChIKeyIKCSLMGJCQOZHN-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,3,4-trimethylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3,3,4-trimethylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine (CID 80999932) is N-[[2-(3,3,4-trimethylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3,3,4-trimethylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3,3,4-trimethylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine is CC(C)NCC1CCC1N1CCN(C)C(C)(C)C1.
What is the InChIKey of N-[[2-(3,3,4-trimethylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is IKCSLMGJCQOZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-12(2)16-10-13-6-7-14(13)18-9-8-17(5)15(3,4)11-18/h12-14,16H,6-11H2,1-5H3.
What are the key properties of N-[[2-(3,3,4-trimethylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine?
N-[[2-(3,3,4-trimethylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,3,4-trimethylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 80999932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).