3-[(1,4-dimethylpiperazin-2-yl)methylamino]-N'-hydroxy-2-methylpropanimidamide

C11H25N5O — CID 77029960

IUPAC3-[(1,4-dimethylpiperazin-2-yl)methylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CNCC1CN(C)CCN1C)C(N)=NO
InChIInChI=1S/C11H25N5O/c1-9(11(12)14-17)6-13-7-10-8-15(2)4-5-16(10)3/h9-10,13,17H,4-8H2,1-3H3,(H2,12,14)
InChIKeyXINPUXFTLMICTE-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.80
Rot. Bonds5

About 3-[(1,4-dimethylpiperazin-2-yl)methylamino]-N'-hydroxy-2-methylpropanimidamide

3-[(1,4-dimethylpiperazin-2-yl)methylamino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 77029960) has the molecular formula C11H25N5O and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[(1,4-dimethylpiperazin-2-yl)methylamino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[(1,4-dimethylpiperazin-2-yl)methylamino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID77029960
Molecular FormulaC11H25N5O
Molecular Weight243.35 g/mol
Exact Mass243.21
IUPAC Name3-[(1,4-dimethylpiperazin-2-yl)methylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CNCC1CN(C)CCN1C)C(N)=NO
InChIInChI=1S/C11H25N5O/c1-9(11(12)14-17)6-13-7-10-8-15(2)4-5-16(10)3/h9-10,13,17H,4-8H2,1-3H3,(H2,12,14)
InChIKeyXINPUXFTLMICTE-UHFFFAOYSA-N
XLogP-0.80
TPSA77.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-methylpropanoate
CID 63896899
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 77011321
N'-hydroxy-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanimidamide
CID 77032142
3-[(1,4-dimethylpiperazin-2-yl)methylamino]propane-1,2-diol
CID 77011342
2-[1-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071018
1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-methoxypropan-2-ol
CID 63930922
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 63898158
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 77011298
N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanimidamide
CID 77050193
1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
CID 45099459
2-[4-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
CID 63899028
1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2-methylpropyl)thiourea
CID 113234145

Frequently Asked Questions

What is the IUPAC name of 3-[(1,4-dimethylpiperazin-2-yl)methylamino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[(1,4-dimethylpiperazin-2-yl)methylamino]-N'-hydroxy-2-methylpropanimidamide (CID 77029960) is 3-[(1,4-dimethylpiperazin-2-yl)methylamino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[(1,4-dimethylpiperazin-2-yl)methylamino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[(1,4-dimethylpiperazin-2-yl)methylamino]-N'-hydroxy-2-methylpropanimidamide is CC(CNCC1CN(C)CCN1C)C(N)=NO.
What is the InChIKey of 3-[(1,4-dimethylpiperazin-2-yl)methylamino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is XINPUXFTLMICTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5O/c1-9(11(12)14-17)6-13-7-10-8-15(2)4-5-16(10)3/h9-10,13,17H,4-8H2,1-3H3,(H2,12,14).
What are the key properties of 3-[(1,4-dimethylpiperazin-2-yl)methylamino]-N'-hydroxy-2-methylpropanimidamide?
3-[(1,4-dimethylpiperazin-2-yl)methylamino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 243.35 g/mol, XLogP of -0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,4-dimethylpiperazin-2-yl)methylamino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 77029960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).