(4-tert-butylpiperazin-1-yl)-cyclopropylmethanimine

C12H23N3 — CID 63177587

IUPAC(4-tert-butylpiperazin-1-yl)-cyclopropylmethanimine
SMILES[H]/N=C(\C1CC1)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H23N3/c1-12(2,3)15-8-6-14(7-9-15)11(13)10-4-5-10/h10,13H,4-9H2,1-3H3/b13-11+
InChIKeyQKEDQBYKIGMOAU-ACCUITESSA-N
MW209.34 g/mol
LogP1.79
Rot. Bonds1

About (4-tert-butylpiperazin-1-yl)-cyclopropylmethanimine

(4-tert-butylpiperazin-1-yl)-cyclopropylmethanimine (PubChem CID 63177587) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is (4-tert-butylpiperazin-1-yl)-cyclopropylmethanimine.

Molecular Properties

Compound Name(4-tert-butylpiperazin-1-yl)-cyclopropylmethanimine
PubChem CID63177587
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name(4-tert-butylpiperazin-1-yl)-cyclopropylmethanimine
SMILES[H]/N=C(\C1CC1)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H23N3/c1-12(2,3)15-8-6-14(7-9-15)11(13)10-4-5-10/h10,13H,4-9H2,1-3H3/b13-11+
InChIKeyQKEDQBYKIGMOAU-ACCUITESSA-N
XLogP1.79
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperazin-1-yl)-cyclopropylmethanimine?
The IUPAC name of (4-tert-butylpiperazin-1-yl)-cyclopropylmethanimine (CID 63177587) is (4-tert-butylpiperazin-1-yl)-cyclopropylmethanimine.
What is the SMILES notation for (4-tert-butylpiperazin-1-yl)-cyclopropylmethanimine?
The canonical SMILES for (4-tert-butylpiperazin-1-yl)-cyclopropylmethanimine is [H]/N=C(\C1CC1)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of (4-tert-butylpiperazin-1-yl)-cyclopropylmethanimine?
The InChIKey is QKEDQBYKIGMOAU-ACCUITESSA-N. The full InChI is InChI=1S/C12H23N3/c1-12(2,3)15-8-6-14(7-9-15)11(13)10-4-5-10/h10,13H,4-9H2,1-3H3/b13-11+.
What are the key properties of (4-tert-butylpiperazin-1-yl)-cyclopropylmethanimine?
(4-tert-butylpiperazin-1-yl)-cyclopropylmethanimine has a molecular weight of 209.34 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpiperazin-1-yl)-cyclopropylmethanimine is sourced from PubChem (CID 63177587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).