N'-hydroxy-6-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide

C14H29N3O2 — CID 106711345

IUPACN'-hydroxy-6-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCNCC1(O)CCCC1)C(N)=NO
InChIInChI=1S/C14H29N3O2/c1-13(2,12(15)17-19)7-5-6-10-16-11-14(18)8-3-4-9-14/h16,18-19H,3-11H2,1-2H3,(H2,15,17)
InChIKeyGIPIXBSLMUEEBU-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.82
Rot. Bonds8

About N'-hydroxy-6-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide

N'-hydroxy-6-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide (PubChem CID 106711345) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N'-hydroxy-6-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-6-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide
PubChem CID106711345
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN'-hydroxy-6-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCNCC1(O)CCCC1)C(N)=NO
InChIInChI=1S/C14H29N3O2/c1-13(2,12(15)17-19)7-5-6-10-16-11-14(18)8-3-4-9-14/h16,18-19H,3-11H2,1-2H3,(H2,15,17)
InChIKeyGIPIXBSLMUEEBU-UHFFFAOYSA-N
XLogP1.82
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.82
H-Bond Donors ≤ 54
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

N'-hydroxy-2-[(1-hydroxycyclopentyl)methylamino]ethanimidamide
CID 77056282
N'-hydroxy-5-[(1-hydroxycyclopentyl)methylamino]pentanimidamide
CID 77056283
N'-hydroxy-2-[(1-hydroxycyclopentyl)methylamino]propanimidamide
CID 77056288
5-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide
CID 77056303
N'-hydroxy-3-[(1-hydroxycyclopentyl)methylamino]propanimidamide
CID 77056309
N'-hydroxy-4-[(1-hydroxycyclopentyl)methylamino]butanimidamide
CID 77056315
N'-hydroxy-3-[(1-hydroxycyclopentyl)methylamino]butanimidamide
CID 77056341
N'-hydroxy-3-[(1-hydroxycyclopentyl)methylamino]-2-methylpropanimidamide
CID 77056348
N'-hydroxy-3-[(1-hydroxycyclopentyl)methylamino]pentanimidamide
CID 77056349
N'-hydroxy-2-[(1-hydroxycyclopentyl)methylamino]butanimidamide
CID 77056372
N'-hydroxy-4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]butanimidamide
CID 77056830
N'-hydroxy-5-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]pentanimidamide
CID 77056858

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide?
The IUPAC name of N'-hydroxy-6-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide (CID 106711345) is N'-hydroxy-6-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide.
What is the SMILES notation for N'-hydroxy-6-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide?
The canonical SMILES for N'-hydroxy-6-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide is CC(C)(CCCCNCC1(O)CCCC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-6-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide?
The InChIKey is GIPIXBSLMUEEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-13(2,12(15)17-19)7-5-6-10-16-11-14(18)8-3-4-9-14/h16,18-19H,3-11H2,1-2H3,(H2,15,17).
What are the key properties of N'-hydroxy-6-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide?
N'-hydroxy-6-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide has a molecular weight of 271.40 g/mol, XLogP of 1.82, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106711345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).