N'-hydroxy-2-[4-[methyl(propan-2-yl)amino]butylamino]butanimidamide

C12H28N4O — CID 77031129

IUPACN'-hydroxy-2-[4-[methyl(propan-2-yl)amino]butylamino]butanimidamide
SMILESCCC(NCCCCN(C)C(C)C)C(N)=NO
InChIInChI=1S/C12H28N4O/c1-5-11(12(13)15-17)14-8-6-7-9-16(4)10(2)3/h10-11,14,17H,5-9H2,1-4H3,(H2,13,15)
InChIKeyBXLAZZWOGRKXFD-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.22
Rot. Bonds9

About N'-hydroxy-2-[4-[methyl(propan-2-yl)amino]butylamino]butanimidamide

N'-hydroxy-2-[4-[methyl(propan-2-yl)amino]butylamino]butanimidamide (PubChem CID 77031129) has the molecular formula C12H28N4O and a molecular weight of 244.38 g/mol. Its IUPAC name is N'-hydroxy-2-[4-[methyl(propan-2-yl)amino]butylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-[methyl(propan-2-yl)amino]butylamino]butanimidamide
PubChem CID77031129
Molecular FormulaC12H28N4O
Molecular Weight244.38 g/mol
Exact Mass244.23
IUPAC NameN'-hydroxy-2-[4-[methyl(propan-2-yl)amino]butylamino]butanimidamide
SMILESCCC(NCCCCN(C)C(C)C)C(N)=NO
InChIInChI=1S/C12H28N4O/c1-5-11(12(13)15-17)14-8-6-7-9-16(4)10(2)3/h10-11,14,17H,5-9H2,1-4H3,(H2,13,15)
InChIKeyBXLAZZWOGRKXFD-UHFFFAOYSA-N
XLogP1.22
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-[methyl(propan-2-yl)amino]butylamino]butanimidamide?
The IUPAC name of N'-hydroxy-2-[4-[methyl(propan-2-yl)amino]butylamino]butanimidamide (CID 77031129) is N'-hydroxy-2-[4-[methyl(propan-2-yl)amino]butylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-[methyl(propan-2-yl)amino]butylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-[methyl(propan-2-yl)amino]butylamino]butanimidamide is CCC(NCCCCN(C)C(C)C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[4-[methyl(propan-2-yl)amino]butylamino]butanimidamide?
The InChIKey is BXLAZZWOGRKXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O/c1-5-11(12(13)15-17)14-8-6-7-9-16(4)10(2)3/h10-11,14,17H,5-9H2,1-4H3,(H2,13,15).
What are the key properties of N'-hydroxy-2-[4-[methyl(propan-2-yl)amino]butylamino]butanimidamide?
N'-hydroxy-2-[4-[methyl(propan-2-yl)amino]butylamino]butanimidamide has a molecular weight of 244.38 g/mol, XLogP of 1.22, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-[methyl(propan-2-yl)amino]butylamino]butanimidamide is sourced from PubChem (CID 77031129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).