5-[bis(3-methylbutyl)amino]-N'-hydroxypentanimidamide

C15H33N3O — CID 107869923

IUPAC5-[bis(3-methylbutyl)amino]-N'-hydroxypentanimidamide
SMILESCC(C)CCN(CCCCC(N)=NO)CCC(C)C
InChIInChI=1S/C15H33N3O/c1-13(2)8-11-18(12-9-14(3)4)10-6-5-7-15(16)17-19/h13-14,19H,5-12H2,1-4H3,(H2,16,17)
InChIKeyHZXYBWBKMRDFKD-UHFFFAOYSA-N
MW271.45 g/mol
LogP3.30
Rot. Bonds11

About 5-[bis(3-methylbutyl)amino]-N'-hydroxypentanimidamide

5-[bis(3-methylbutyl)amino]-N'-hydroxypentanimidamide (PubChem CID 107869923) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 5-[bis(3-methylbutyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[bis(3-methylbutyl)amino]-N'-hydroxypentanimidamide
PubChem CID107869923
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name5-[bis(3-methylbutyl)amino]-N'-hydroxypentanimidamide
SMILESCC(C)CCN(CCCCC(N)=NO)CCC(C)C
InChIInChI=1S/C15H33N3O/c1-13(2)8-11-18(12-9-14(3)4)10-6-5-7-15(16)17-19/h13-14,19H,5-12H2,1-4H3,(H2,16,17)
InChIKeyHZXYBWBKMRDFKD-UHFFFAOYSA-N
XLogP3.30
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-5-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide
CID 54986697
5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide
CID 94230162
N'-hydroxy-3-[2-methylpropyl(nonyl)amino]propanimidamide
CID 76997716
5-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 109374620
N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pentanimidamide
CID 109374606
3-[butyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917226
6-[bis(3-methylbutyl)amino]hexan-2-one
CID 107870512
5-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxypentanimidamide
CID 76912512
N'-hydroxy-5-(5-methylhexan-2-ylamino)pentanimidamide
CID 77030148
5-[ethyl(methyl)amino]-N'-hydroxypentanimidamide
CID 109374551
N'-hydroxy-3-[2-methylpentyl(2-methylpropyl)amino]propanimidamide
CID 76937907
N-(5-amino-5-hydroxyiminopentyl)-4-methylpentanamide
CID 77036898

Frequently Asked Questions

What is the IUPAC name of 5-[bis(3-methylbutyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[bis(3-methylbutyl)amino]-N'-hydroxypentanimidamide (CID 107869923) is 5-[bis(3-methylbutyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[bis(3-methylbutyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[bis(3-methylbutyl)amino]-N'-hydroxypentanimidamide is CC(C)CCN(CCCCC(N)=NO)CCC(C)C.
What is the InChIKey of 5-[bis(3-methylbutyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is HZXYBWBKMRDFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-13(2)8-11-18(12-9-14(3)4)10-6-5-7-15(16)17-19/h13-14,19H,5-12H2,1-4H3,(H2,16,17).
What are the key properties of 5-[bis(3-methylbutyl)amino]-N'-hydroxypentanimidamide?
5-[bis(3-methylbutyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 271.45 g/mol, XLogP of 3.30, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(3-methylbutyl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 107869923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).