3-[(5,5-dimethyloxolan-2-yl)methyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide

C14H29N3O2 — CID 104889552

IUPAC3-[(5,5-dimethyloxolan-2-yl)methyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C)CN(CCC(N)=NO)CC1CCC(C)(C)O1
InChIInChI=1S/C14H29N3O2/c1-11(2)9-17(8-6-13(15)16-18)10-12-5-7-14(3,4)19-12/h11-12,18H,5-10H2,1-4H3,(H2,15,16)
InChIKeyODGPVKLJZNBFFG-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.04
Rot. Bonds7

About 3-[(5,5-dimethyloxolan-2-yl)methyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide

3-[(5,5-dimethyloxolan-2-yl)methyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide (PubChem CID 104889552) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 3-[(5,5-dimethyloxolan-2-yl)methyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(5,5-dimethyloxolan-2-yl)methyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
PubChem CID104889552
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name3-[(5,5-dimethyloxolan-2-yl)methyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C)CN(CCC(N)=NO)CC1CCC(C)(C)O1
InChIInChI=1S/C14H29N3O2/c1-11(2)9-17(8-6-13(15)16-18)10-12-5-7-14(3,4)19-12/h11-12,18H,5-10H2,1-4H3,(H2,15,16)
InChIKeyODGPVKLJZNBFFG-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
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 3-[(5,5-dimethyloxolan-2-yl)methyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(5,5-dimethyloxolan-2-yl)methyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide (CID 104889552) is 3-[(5,5-dimethyloxolan-2-yl)methyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(5,5-dimethyloxolan-2-yl)methyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(5,5-dimethyloxolan-2-yl)methyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide is CC(C)CN(CCC(N)=NO)CC1CCC(C)(C)O1.
What is the InChIKey of 3-[(5,5-dimethyloxolan-2-yl)methyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is ODGPVKLJZNBFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-11(2)9-17(8-6-13(15)16-18)10-12-5-7-14(3,4)19-12/h11-12,18H,5-10H2,1-4H3,(H2,15,16).
What are the key properties of 3-[(5,5-dimethyloxolan-2-yl)methyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
3-[(5,5-dimethyloxolan-2-yl)methyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 271.40 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,5-dimethyloxolan-2-yl)methyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 104889552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).