[1-(4-tert-butylpiperazin-1-yl)cyclopropyl]methanamine

C12H25N3 — CID 106661111

IUPAC[1-(4-tert-butylpiperazin-1-yl)cyclopropyl]methanamine
SMILESCC(C)(C)N1CCN(C2(CN)CC2)CC1
InChIInChI=1S/C12H25N3/c1-11(2,3)14-6-8-15(9-7-14)12(10-13)4-5-12/h4-10,13H2,1-3H3
InChIKeyLMUYOPQEZUZNNF-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.89
Rot. Bonds2

About [1-(4-tert-butylpiperazin-1-yl)cyclopropyl]methanamine

[1-(4-tert-butylpiperazin-1-yl)cyclopropyl]methanamine (PubChem CID 106661111) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is [1-(4-tert-butylpiperazin-1-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(4-tert-butylpiperazin-1-yl)cyclopropyl]methanamine
PubChem CID106661111
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name[1-(4-tert-butylpiperazin-1-yl)cyclopropyl]methanamine
SMILESCC(C)(C)N1CCN(C2(CN)CC2)CC1
InChIInChI=1S/C12H25N3/c1-11(2,3)14-6-8-15(9-7-14)12(10-13)4-5-12/h4-10,13H2,1-3H3
InChIKeyLMUYOPQEZUZNNF-UHFFFAOYSA-N
XLogP0.89
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylpiperazin-1-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(4-tert-butylpiperazin-1-yl)cyclopropyl]methanamine (CID 106661111) is [1-(4-tert-butylpiperazin-1-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(4-tert-butylpiperazin-1-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(4-tert-butylpiperazin-1-yl)cyclopropyl]methanamine is CC(C)(C)N1CCN(C2(CN)CC2)CC1.
What is the InChIKey of [1-(4-tert-butylpiperazin-1-yl)cyclopropyl]methanamine?
The InChIKey is LMUYOPQEZUZNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-11(2,3)14-6-8-15(9-7-14)12(10-13)4-5-12/h4-10,13H2,1-3H3.
What are the key properties of [1-(4-tert-butylpiperazin-1-yl)cyclopropyl]methanamine?
[1-(4-tert-butylpiperazin-1-yl)cyclopropyl]methanamine has a molecular weight of 211.35 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylpiperazin-1-yl)cyclopropyl]methanamine is sourced from PubChem (CID 106661111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).