N'-hydroxy-2,2-dimethyl-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide

C14H29N3O2 — CID 77063795

IUPACN'-hydroxy-2,2-dimethyl-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide
SMILESCN(CCCC(C)(C)C(N)=NO)CC1CCOCC1
InChIInChI=1S/C14H29N3O2/c1-14(2,13(15)16-18)7-4-8-17(3)11-12-5-9-19-10-6-12/h12,18H,4-11H2,1-3H3,(H2,15,16)
InChIKeyDQVRPISXMLZMQL-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.90
Rot. Bonds7

About N'-hydroxy-2,2-dimethyl-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide

N'-hydroxy-2,2-dimethyl-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide (PubChem CID 77063795) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide
PubChem CID77063795
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN'-hydroxy-2,2-dimethyl-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide
SMILESCN(CCCC(C)(C)C(N)=NO)CC1CCOCC1
InChIInChI=1S/C14H29N3O2/c1-14(2,13(15)16-18)7-4-8-17(3)11-12-5-9-19-10-6-12/h12,18H,4-11H2,1-3H3,(H2,15,16)
InChIKeyDQVRPISXMLZMQL-UHFFFAOYSA-N
XLogP1.90
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide (CID 77063795) is N'-hydroxy-2,2-dimethyl-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide is CN(CCCC(C)(C)C(N)=NO)CC1CCOCC1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide?
The InChIKey is DQVRPISXMLZMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-14(2,13(15)16-18)7-4-8-17(3)11-12-5-9-19-10-6-12/h12,18H,4-11H2,1-3H3,(H2,15,16).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide has a molecular weight of 271.40 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide is sourced from PubChem (CID 77063795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).