N'-hydroxy-2,2-dimethyl-5-[(4-methyloxan-4-yl)amino]pentanimidamide

C13H27N3O2 — CID 104866638

IUPACN'-hydroxy-2,2-dimethyl-5-[(4-methyloxan-4-yl)amino]pentanimidamide
SMILESCC1(NCCCC(C)(C)C(N)=NO)CCOCC1
InChIInChI=1S/C13H27N3O2/c1-12(2,11(14)16-17)5-4-8-15-13(3)6-9-18-10-7-13/h15,17H,4-10H2,1-3H3,(H2,14,16)
InChIKeyBXGACCCCINKWRH-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.70
Rot. Bonds6

About N'-hydroxy-2,2-dimethyl-5-[(4-methyloxan-4-yl)amino]pentanimidamide

N'-hydroxy-2,2-dimethyl-5-[(4-methyloxan-4-yl)amino]pentanimidamide (PubChem CID 104866638) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-[(4-methyloxan-4-yl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-[(4-methyloxan-4-yl)amino]pentanimidamide
PubChem CID104866638
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN'-hydroxy-2,2-dimethyl-5-[(4-methyloxan-4-yl)amino]pentanimidamide
SMILESCC1(NCCCC(C)(C)C(N)=NO)CCOCC1
InChIInChI=1S/C13H27N3O2/c1-12(2,11(14)16-17)5-4-8-15-13(3)6-9-18-10-7-13/h15,17H,4-10H2,1-3H3,(H2,14,16)
InChIKeyBXGACCCCINKWRH-UHFFFAOYSA-N
XLogP1.70
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.70
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-2,2-dimethyl-4-(oxan-4-ylmethylamino)butanimidamide
CID 77061960
N'-hydroxy-2,2-dimethyl-4-(oxan-4-ylamino)butanimidamide
CID 77062174
N'-hydroxy-2,2-dimethyl-4-(oxan-3-ylmethylamino)butanimidamide
CID 77062251
N'-hydroxy-2,2-dimethyl-4-[methyl(oxan-4-yl)amino]butanimidamide
CID 77062980
N'-hydroxy-5-(4-methoxybutan-2-ylamino)-2,2-dimethylpentanimidamide
CID 77063118
N'-hydroxy-2,2-dimethyl-5-(oxan-3-ylamino)pentanimidamide
CID 77063479
N'-hydroxy-2,2-dimethyl-5-(oxan-4-ylamino)pentanimidamide
CID 77063516
N'-hydroxy-5-(3-methoxypropylamino)-2,2-dimethylpentanimidamide
CID 77063595
N'-hydroxy-2,2-dimethyl-5-(oxan-3-ylmethylamino)pentanimidamide
CID 77063606
N'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]-2,2-dimethylpentanimidamide
CID 77063740
N'-hydroxy-5-(4-methoxybutylamino)-2,2-dimethylpentanimidamide
CID 77063779
N'-hydroxy-2,2-dimethyl-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide
CID 77063795

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-[(4-methyloxan-4-yl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-[(4-methyloxan-4-yl)amino]pentanimidamide (CID 104866638) is N'-hydroxy-2,2-dimethyl-5-[(4-methyloxan-4-yl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-[(4-methyloxan-4-yl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-[(4-methyloxan-4-yl)amino]pentanimidamide is CC1(NCCCC(C)(C)C(N)=NO)CCOCC1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-[(4-methyloxan-4-yl)amino]pentanimidamide?
The InChIKey is BXGACCCCINKWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-12(2,11(14)16-17)5-4-8-15-13(3)6-9-18-10-7-13/h15,17H,4-10H2,1-3H3,(H2,14,16).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-[(4-methyloxan-4-yl)amino]pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-[(4-methyloxan-4-yl)amino]pentanimidamide has a molecular weight of 257.38 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-5-[(4-methyloxan-4-yl)amino]pentanimidamide is sourced from PubChem (CID 104866638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).