N'-hydroxy-6-[[4-(hydroxymethyl)oxan-4-yl]amino]-2,2-dimethylhexanimidamide

C14H29N3O3 — CID 106299228

IUPACN'-hydroxy-6-[[4-(hydroxymethyl)oxan-4-yl]amino]-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCNC1(CO)CCOCC1)C(N)=NO
InChIInChI=1S/C14H29N3O3/c1-13(2,12(15)17-19)5-3-4-8-16-14(11-18)6-9-20-10-7-14/h16,18-19H,3-11H2,1-2H3,(H2,15,17)
InChIKeyHVQQBLIONZXOBH-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.06
Rot. Bonds8

About N'-hydroxy-6-[[4-(hydroxymethyl)oxan-4-yl]amino]-2,2-dimethylhexanimidamide

N'-hydroxy-6-[[4-(hydroxymethyl)oxan-4-yl]amino]-2,2-dimethylhexanimidamide (PubChem CID 106299228) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is N'-hydroxy-6-[[4-(hydroxymethyl)oxan-4-yl]amino]-2,2-dimethylhexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-6-[[4-(hydroxymethyl)oxan-4-yl]amino]-2,2-dimethylhexanimidamide
PubChem CID106299228
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC NameN'-hydroxy-6-[[4-(hydroxymethyl)oxan-4-yl]amino]-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCNC1(CO)CCOCC1)C(N)=NO
InChIInChI=1S/C14H29N3O3/c1-13(2,12(15)17-19)5-3-4-8-16-14(11-18)6-9-20-10-7-14/h16,18-19H,3-11H2,1-2H3,(H2,15,17)
InChIKeyHVQQBLIONZXOBH-UHFFFAOYSA-N
XLogP1.06
TPSA100.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-4-[[1-(hydroxymethyl)cyclohexyl]amino]-2,2-dimethylbutanimidamide
CID 77062177
N'-hydroxy-4-[[1-(hydroxymethyl)cyclopentyl]amino]-2,2-dimethylbutanimidamide
CID 77062179
N'-hydroxy-5-[(1-hydroxy-2-methylbutan-2-yl)amino]-2,2-dimethylpentanimidamide
CID 77063399
N'-hydroxy-2,2-dimethyl-5-(oxan-4-ylamino)pentanimidamide
CID 77063516
N'-hydroxy-5-[[1-(hydroxymethyl)cyclopentyl]amino]-2,2-dimethylpentanimidamide
CID 77063518
N'-hydroxy-5-[3-(hydroxymethyl)pentan-3-ylamino]-2,2-dimethylpentanimidamide
CID 77064136
N'-hydroxy-5-[[1-(hydroxymethyl)cyclohexyl]amino]-2,2-dimethylpentanimidamide
CID 77064137
N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methylamino]-2,2-dimethylpentanimidamide
CID 81131336
N'-hydroxy-2,2-dimethyl-5-[(4-methyloxan-4-yl)amino]pentanimidamide
CID 104866638
N'-hydroxy-2,2-dimethyl-4-[(4-methyloxan-4-yl)amino]butanimidamide
CID 104866639
N'-hydroxy-2,2-dimethyl-6-[(3-methyloxan-3-yl)amino]hexanimidamide
CID 105799078
N'-hydroxy-2,2-dimethyl-6-[(4-methyloxan-4-yl)methylamino]hexanimidamide
CID 105895832

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-[[4-(hydroxymethyl)oxan-4-yl]amino]-2,2-dimethylhexanimidamide?
The IUPAC name of N'-hydroxy-6-[[4-(hydroxymethyl)oxan-4-yl]amino]-2,2-dimethylhexanimidamide (CID 106299228) is N'-hydroxy-6-[[4-(hydroxymethyl)oxan-4-yl]amino]-2,2-dimethylhexanimidamide.
What is the SMILES notation for N'-hydroxy-6-[[4-(hydroxymethyl)oxan-4-yl]amino]-2,2-dimethylhexanimidamide?
The canonical SMILES for N'-hydroxy-6-[[4-(hydroxymethyl)oxan-4-yl]amino]-2,2-dimethylhexanimidamide is CC(C)(CCCCNC1(CO)CCOCC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-6-[[4-(hydroxymethyl)oxan-4-yl]amino]-2,2-dimethylhexanimidamide?
The InChIKey is HVQQBLIONZXOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-13(2,12(15)17-19)5-3-4-8-16-14(11-18)6-9-20-10-7-14/h16,18-19H,3-11H2,1-2H3,(H2,15,17).
What are the key properties of N'-hydroxy-6-[[4-(hydroxymethyl)oxan-4-yl]amino]-2,2-dimethylhexanimidamide?
N'-hydroxy-6-[[4-(hydroxymethyl)oxan-4-yl]amino]-2,2-dimethylhexanimidamide has a molecular weight of 287.40 g/mol, XLogP of 1.06, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-[[4-(hydroxymethyl)oxan-4-yl]amino]-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106299228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).