2-[1-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide

C14H28N4O — CID 65493991

IUPAC2-[1-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN2CCN(CC(C)(C)O)CC2)CC1
InChIInChI=1S/C14H28N4O/c1-13(2,19)10-17-5-7-18(8-6-17)11-14(3-4-14)9-12(15)16/h19H,3-11H2,1-2H3,(H3,15,16)
InChIKeyIFLOIYYNCZOVMW-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.48
Rot. Bonds6

About 2-[1-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide

2-[1-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide (PubChem CID 65493991) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[1-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide
PubChem CID65493991
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name2-[1-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN2CCN(CC(C)(C)O)CC2)CC1
InChIInChI=1S/C14H28N4O/c1-13(2,19)10-17-5-7-18(8-6-17)11-14(3-4-14)9-12(15)16/h19H,3-11H2,1-2H3,(H3,15,16)
InChIKeyIFLOIYYNCZOVMW-UHFFFAOYSA-N
XLogP0.48
TPSA76.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide (CID 65493991) is 2-[1-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(CN2CCN(CC(C)(C)O)CC2)CC1.
What is the InChIKey of 2-[1-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide?
The InChIKey is IFLOIYYNCZOVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-13(2,19)10-17-5-7-18(8-6-17)11-14(3-4-14)9-12(15)16/h19H,3-11H2,1-2H3,(H3,15,16).
What are the key properties of 2-[1-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide?
2-[1-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide has a molecular weight of 268.40 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 65493991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).