N'-hydroxy-5-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylpentanimidamide

C14H29N3O2 — CID 104985386

IUPACN'-hydroxy-5-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylpentanimidamide
SMILESCN(CCCC(C)(C)C(N)=NO)CC1(O)CCCC1
InChIInChI=1S/C14H29N3O2/c1-13(2,12(15)16-19)7-6-10-17(3)11-14(18)8-4-5-9-14/h18-19H,4-11H2,1-3H3,(H2,15,16)
InChIKeyFTINLEUNVKBMOK-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.78
Rot. Bonds7

About N'-hydroxy-5-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylpentanimidamide

N'-hydroxy-5-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylpentanimidamide (PubChem CID 104985386) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N'-hydroxy-5-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylpentanimidamide
PubChem CID104985386
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN'-hydroxy-5-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylpentanimidamide
SMILESCN(CCCC(C)(C)C(N)=NO)CC1(O)CCCC1
InChIInChI=1S/C14H29N3O2/c1-13(2,12(15)16-19)7-6-10-17(3)11-14(18)8-4-5-9-14/h18-19H,4-11H2,1-3H3,(H2,15,16)
InChIKeyFTINLEUNVKBMOK-UHFFFAOYSA-N
XLogP1.78
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-5-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylpentanimidamide?
The IUPAC name of N'-hydroxy-5-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylpentanimidamide (CID 104985386) is N'-hydroxy-5-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylpentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylpentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylpentanimidamide is CN(CCCC(C)(C)C(N)=NO)CC1(O)CCCC1.
What is the InChIKey of N'-hydroxy-5-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylpentanimidamide?
The InChIKey is FTINLEUNVKBMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-13(2,12(15)16-19)7-6-10-17(3)11-14(18)8-4-5-9-14/h18-19H,4-11H2,1-3H3,(H2,15,16).
What are the key properties of N'-hydroxy-5-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylpentanimidamide?
N'-hydroxy-5-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylpentanimidamide has a molecular weight of 271.40 g/mol, XLogP of 1.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 104985386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).