N'-hydroxy-2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide

C15H33N3O — CID 77063707

IUPACN'-hydroxy-2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide
SMILESCCCCCN(CCCC(C)(C)C(N)=NO)C(C)C
InChIInChI=1S/C15H33N3O/c1-6-7-8-11-18(13(2)3)12-9-10-15(4,5)14(16)17-19/h13,19H,6-12H2,1-5H3,(H2,16,17)
InChIKeyFRBSNQVLLOKNOR-UHFFFAOYSA-N
MW271.45 g/mol
LogP3.44
Rot. Bonds10

About N'-hydroxy-2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide

N'-hydroxy-2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide (PubChem CID 77063707) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide
PubChem CID77063707
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC NameN'-hydroxy-2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide
SMILESCCCCCN(CCCC(C)(C)C(N)=NO)C(C)C
InChIInChI=1S/C15H33N3O/c1-6-7-8-11-18(13(2)3)12-9-10-15(4,5)14(16)17-19/h13,19H,6-12H2,1-5H3,(H2,16,17)
InChIKeyFRBSNQVLLOKNOR-UHFFFAOYSA-N
XLogP3.44
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 53.44
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-2,2-dimethyl-6-[methyl(pentyl)amino]hexanimidamide
CID 106710729
2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide
CID 65258572
4-[ethyl(propan-2-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062836
5-[butyl(ethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063075
5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063094
6-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710799
3-methyl-1-N-pentyl-1-N-propan-2-ylbutane-1,3-diamine
CID 64681832
N'-hydroxy-2,2-dimethyl-5-[methyl(2-methylbutyl)amino]pentanimidamide
CID 77063572
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
N'-hydroxy-2,2-dimethyl-6-octan-2-yloxyhexanimidamide
CID 106711793
6-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710790

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide (CID 77063707) is N'-hydroxy-2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide is CCCCCN(CCCC(C)(C)C(N)=NO)C(C)C.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide?
The InChIKey is FRBSNQVLLOKNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-6-7-8-11-18(13(2)3)12-9-10-15(4,5)14(16)17-19/h13,19H,6-12H2,1-5H3,(H2,16,17).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide has a molecular weight of 271.45 g/mol, XLogP of 3.44, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide is sourced from PubChem (CID 77063707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).