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

C11H26N4O — CID 106034042

IUPACN'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]butanimidamide
SMILESCC(CC(N)=NO)NCCCN(C)C(C)C
InChIInChI=1S/C11H26N4O/c1-9(2)15(4)7-5-6-13-10(3)8-11(12)14-16/h9-10,13,16H,5-8H2,1-4H3,(H2,12,14)
InChIKeyPLVUHDBMLDXVKI-UHFFFAOYSA-N
MW230.36 g/mol
LogP0.83
Rot. Bonds8

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

N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]butanimidamide (PubChem CID 106034042) has the molecular formula C11H26N4O and a molecular weight of 230.36 g/mol. Its IUPAC name is N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]butanimidamide
PubChem CID106034042
Molecular FormulaC11H26N4O
Molecular Weight230.36 g/mol
Exact Mass230.21
IUPAC NameN'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]butanimidamide
SMILESCC(CC(N)=NO)NCCCN(C)C(C)C
InChIInChI=1S/C11H26N4O/c1-9(2)15(4)7-5-6-13-10(3)8-11(12)14-16/h9-10,13,16H,5-8H2,1-4H3,(H2,12,14)
InChIKeyPLVUHDBMLDXVKI-UHFFFAOYSA-N
XLogP0.83
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 50.83
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'}

Analyze N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]butanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]pentanimidamide
CID 106034084
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-3-(3-methylsulfanylpropylamino)butanimidamide
CID 77029537
3-[3-(dimethylamino)propylamino]-N'-hydroxypentanimidamide
CID 77029774
N'-hydroxy-2-[4-[methyl(propan-2-yl)amino]butylamino]butanimidamide
CID 77031129
2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethylurea
CID 83121441
N-carbamoyl-2-[3-[methyl(propan-2-yl)amino]propylamino]propanamide
CID 106045951
2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]acetamide
CID 77027473
4-[2-[methyl(propan-2-yl)amino]ethylamino]pentan-1-ol
CID 115971792
N'-hydroxy-3-(4-imidazol-1-ylbutylamino)butanimidamide
CID 77032766
1-(N'-hydroxycarbamimidoyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopropane-1-carboxamide
CID 114139858

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]butanimidamide (CID 106034042) is N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]butanimidamide is CC(CC(N)=NO)NCCCN(C)C(C)C.
What is the InChIKey of N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]butanimidamide?
The InChIKey is PLVUHDBMLDXVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O/c1-9(2)15(4)7-5-6-13-10(3)8-11(12)14-16/h9-10,13,16H,5-8H2,1-4H3,(H2,12,14).
What are the key properties of N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]butanimidamide?
N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]butanimidamide has a molecular weight of 230.36 g/mol, XLogP of 0.83, 8 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]butanimidamide is sourced from PubChem (CID 106034042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).