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

C12H28N4O — CID 106034084

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

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

N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]pentanimidamide (PubChem CID 106034084) has the molecular formula C12H28N4O and a molecular weight of 244.38 g/mol. Its IUPAC name is N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]pentanimidamide
PubChem CID106034084
Molecular FormulaC12H28N4O
Molecular Weight244.38 g/mol
Exact Mass244.23
IUPAC NameN'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]pentanimidamide
SMILESCCC(CC(N)=NO)NCCCN(C)C(C)C
InChIInChI=1S/C12H28N4O/c1-5-11(9-12(13)15-17)14-7-6-8-16(4)10(2)3/h10-11,14,17H,5-9H2,1-4H3,(H2,13,15)
InChIKeyILSQMTSGUSVEPZ-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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Related Compounds

3-[3-(dimethylamino)propylamino]-N'-hydroxypentanimidamide
CID 77029774
N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]butanimidamide
CID 106034042
3-[2-(dimethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77028742
N'-hydroxy-3-(3-hydroxypropylamino)pentanimidamide
CID 77029003
N'-hydroxy-3-(5-methylhexylamino)pentanimidamide
CID 115325880
N'-hydroxy-3-(7-methyloctylamino)pentanimidamide
CID 114004141
N'-hydroxy-3-(3-methylsulfanylpropylamino)pentanimidamide
CID 77029932
N'-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide
CID 106034085
N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide
CID 106034016
N'-hydroxy-2-[4-[methyl(propan-2-yl)amino]butylamino]butanimidamide
CID 77031129
N'-hydroxy-3-(2-methylsulfonylethylamino)pentanimidamide
CID 77025369
N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]pentanimidamide
CID 77112816

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]pentanimidamide (CID 106034084) is N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]pentanimidamide is CCC(CC(N)=NO)NCCCN(C)C(C)C.
What is the InChIKey of N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]pentanimidamide?
The InChIKey is ILSQMTSGUSVEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O/c1-5-11(9-12(13)15-17)14-7-6-8-16(4)10(2)3/h10-11,14,17H,5-9H2,1-4H3,(H2,13,15).
What are the key properties of N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]pentanimidamide?
N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]pentanimidamide 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-3-[3-[methyl(propan-2-yl)amino]propylamino]pentanimidamide is sourced from PubChem (CID 106034084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).