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

C13H24N4 — CID 65492522

IUPAC2-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN2CCN(C3CC3)CC2)CC1
InChIInChI=1S/C13H24N4/c14-12(15)9-13(3-4-13)10-16-5-7-17(8-6-16)11-1-2-11/h11H,1-10H2,(H3,14,15)
InChIKeyXWQGCBDQAXTLAM-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.87
Rot. Bonds5

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

2-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide (PubChem CID 65492522) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide
PubChem CID65492522
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN2CCN(C3CC3)CC2)CC1
InChIInChI=1S/C13H24N4/c14-12(15)9-13(3-4-13)10-16-5-7-17(8-6-16)11-1-2-11/h11H,1-10H2,(H3,14,15)
InChIKeyXWQGCBDQAXTLAM-UHFFFAOYSA-N
XLogP0.87
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.87
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-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide (CID 65492522) is 2-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(CN2CCN(C3CC3)CC2)CC1.
What is the InChIKey of 2-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide?
The InChIKey is XWQGCBDQAXTLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c14-12(15)9-13(3-4-13)10-16-5-7-17(8-6-16)11-1-2-11/h11H,1-10H2,(H3,14,15).
What are the key properties of 2-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide?
2-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide has a molecular weight of 236.36 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 65492522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).