2-[1-[(4-tert-butylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide

C14H28N4 — CID 65494177

IUPAC2-[1-[(4-tert-butylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C14H28N4/c1-13(2,3)18-8-6-17(7-9-18)11-14(4-5-14)10-12(15)16/h4-11H2,1-3H3,(H3,15,16)
InChIKeyXUKFSDLWDGRPGA-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.51
Rot. Bonds4

About 2-[1-[(4-tert-butylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide

2-[1-[(4-tert-butylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide (PubChem CID 65494177) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 2-[1-[(4-tert-butylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-[(4-tert-butylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide
PubChem CID65494177
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name2-[1-[(4-tert-butylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C14H28N4/c1-13(2,3)18-8-6-17(7-9-18)11-14(4-5-14)10-12(15)16/h4-11H2,1-3H3,(H3,15,16)
InChIKeyXUKFSDLWDGRPGA-UHFFFAOYSA-N
XLogP1.51
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-[1-[(4-tert-butylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-[(4-tert-butylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide (CID 65494177) is 2-[1-[(4-tert-butylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-[(4-tert-butylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-[(4-tert-butylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(CN2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of 2-[1-[(4-tert-butylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide?
The InChIKey is XUKFSDLWDGRPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-13(2,3)18-8-6-17(7-9-18)11-14(4-5-14)10-12(15)16/h4-11H2,1-3H3,(H3,15,16).
What are the key properties of 2-[1-[(4-tert-butylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide?
2-[1-[(4-tert-butylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide has a molecular weight of 252.41 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-tert-butylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 65494177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).