N'-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide

C10H24N4O — CID 106034085

IUPACN'-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide
SMILESCC(NCCCN(C)C(C)C)C(N)=NO
InChIInChI=1S/C10H24N4O/c1-8(2)14(4)7-5-6-12-9(3)10(11)13-15/h8-9,12,15H,5-7H2,1-4H3,(H2,11,13)
InChIKeyYBZKPTRJVMANSJ-UHFFFAOYSA-N
MW216.33 g/mol
LogP0.44
Rot. Bonds7

About N'-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide

N'-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide (PubChem CID 106034085) has the molecular formula C10H24N4O and a molecular weight of 216.33 g/mol. Its IUPAC name is N'-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide
PubChem CID106034085
Molecular FormulaC10H24N4O
Molecular Weight216.33 g/mol
Exact Mass216.20
IUPAC NameN'-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide
SMILESCC(NCCCN(C)C(C)C)C(N)=NO
InChIInChI=1S/C10H24N4O/c1-8(2)14(4)7-5-6-12-9(3)10(11)13-15/h8-9,12,15H,5-7H2,1-4H3,(H2,11,13)
InChIKeyYBZKPTRJVMANSJ-UHFFFAOYSA-N
XLogP0.44
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 50.44
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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Related Compounds

N'-hydroxy-2-(4-hydroxybutylamino)propanimidamide
CID 106842319
N'-hydroxy-2-[4-[methyl(propan-2-yl)amino]butylamino]butanimidamide
CID 77031129
N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]butanimidamide
CID 106034042
N-carbamoyl-2-[3-[methyl(propan-2-yl)amino]propylamino]propanamide
CID 106045951
N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]pentanimidamide
CID 106034084
N'-hydroxy-2-(octylamino)propanimidamide
CID 115568476
2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide
CID 77026359
N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide
CID 106034016
N'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]propanimidamide
CID 106161760
N'-hydroxy-2-[2-(2-hydroxyethoxy)ethylamino]propanimidamide
CID 77029466
2-(3-cyclopropylpropylamino)-N'-hydroxypropanimidamide
CID 104876523
3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide
CID 77029016

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide (CID 106034085) is N'-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide is CC(NCCCN(C)C(C)C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide?
The InChIKey is YBZKPTRJVMANSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O/c1-8(2)14(4)7-5-6-12-9(3)10(11)13-15/h8-9,12,15H,5-7H2,1-4H3,(H2,11,13).
What are the key properties of N'-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide?
N'-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide has a molecular weight of 216.33 g/mol, XLogP of 0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide is sourced from PubChem (CID 106034085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).