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

C15H31N3O2 — CID 106711666

IUPACN'-hydroxy-6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide
SMILESCN(CCCCC(C)(C)C(N)=NO)CC1(O)CCCC1
InChIInChI=1S/C15H31N3O2/c1-14(2,13(16)17-20)8-6-7-11-18(3)12-15(19)9-4-5-10-15/h19-20H,4-12H2,1-3H3,(H2,16,17)
InChIKeyKUNNZIMUDIPCON-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.17
Rot. Bonds8

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

N'-hydroxy-6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide (PubChem CID 106711666) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is N'-hydroxy-6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide
PubChem CID106711666
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC NameN'-hydroxy-6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide
SMILESCN(CCCCC(C)(C)C(N)=NO)CC1(O)CCCC1
InChIInChI=1S/C15H31N3O2/c1-14(2,13(16)17-20)8-6-7-11-18(3)12-15(19)9-4-5-10-15/h19-20H,4-12H2,1-3H3,(H2,16,17)
InChIKeyKUNNZIMUDIPCON-UHFFFAOYSA-N
XLogP2.17
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.17
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'}

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Related Compounds

N'-hydroxy-5-[(1-hydroxycyclopentyl)methylamino]pentanimidamide
CID 77056283
N'-hydroxy-3-[(1-hydroxycyclopentyl)methylamino]propanimidamide
CID 77056309
N'-hydroxy-4-[(1-hydroxycyclopentyl)methylamino]butanimidamide
CID 77056315
N'-hydroxy-3-[(1-hydroxycyclopentyl)methylamino]-2-methylpropanimidamide
CID 77056348
N'-hydroxy-4-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylbutanimidamide
CID 77062659
5-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063378
N'-hydroxy-5-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylpentanimidamide
CID 77063379
N'-hydroxy-2-[1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopropyl]ethanimidamide
CID 77070624
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 79380050
N'-hydroxy-5-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpentanimidamide
CID 79380231
N'-hydroxy-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpentanimidamide
CID 103356309
N'-hydroxy-4-(3-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide
CID 104876713

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide?
The IUPAC name of N'-hydroxy-6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide (CID 106711666) is N'-hydroxy-6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide.
What is the SMILES notation for N'-hydroxy-6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide?
The canonical SMILES for N'-hydroxy-6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide is CN(CCCCC(C)(C)C(N)=NO)CC1(O)CCCC1.
What is the InChIKey of N'-hydroxy-6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide?
The InChIKey is KUNNZIMUDIPCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-14(2,13(16)17-20)8-6-7-11-18(3)12-15(19)9-4-5-10-15/h19-20H,4-12H2,1-3H3,(H2,16,17).
What are the key properties of N'-hydroxy-6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide?
N'-hydroxy-6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide has a molecular weight of 285.43 g/mol, XLogP of 2.17, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106711666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).