6-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide

C14H31N3O2 — CID 106710799

IUPAC6-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCCCCN(CCO)CCCCC(C)(C)C(N)=NO
InChIInChI=1S/C14H31N3O2/c1-4-5-9-17(11-12-18)10-7-6-8-14(2,3)13(15)16-19/h18-19H,4-12H2,1-3H3,(H2,15,16)
InChIKeyVGKWWXYXPNKSGD-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.02
Rot. Bonds11

About 6-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide

6-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide (PubChem CID 106710799) has the molecular formula C14H31N3O2 and a molecular weight of 273.42 g/mol. Its IUPAC name is 6-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
PubChem CID106710799
Molecular FormulaC14H31N3O2
Molecular Weight273.42 g/mol
Exact Mass273.24
IUPAC Name6-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCCCCN(CCO)CCCCC(C)(C)C(N)=NO
InChIInChI=1S/C14H31N3O2/c1-4-5-9-17(11-12-18)10-7-6-8-14(2,3)13(15)16-19/h18-19H,4-12H2,1-3H3,(H2,15,16)
InChIKeyVGKWWXYXPNKSGD-UHFFFAOYSA-N
XLogP2.02
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.02
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 6-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide 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

5-[butyl(ethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063075
N'-hydroxy-2,2-dimethyl-6-[methyl(pentyl)amino]hexanimidamide
CID 106710729
4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 104861776
5-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 109374620
6-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710790
N'-hydroxy-2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide
CID 77063707
5-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063702
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
CID 158613342
2-[butyl(2-hydroxyethyl)amino]ethanol;titanium
CID 174575595
5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063094

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide (CID 106710799) is 6-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide is CCCCN(CCO)CCCCC(C)(C)C(N)=NO.
What is the InChIKey of 6-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The InChIKey is VGKWWXYXPNKSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2/c1-4-5-9-17(11-12-18)10-7-6-8-14(2,3)13(15)16-19/h18-19H,4-12H2,1-3H3,(H2,15,16).
What are the key properties of 6-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide?
6-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide has a molecular weight of 273.42 g/mol, XLogP of 2.02, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106710799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).