3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypentanimidamide

C12H26N4O2 — CID 77111703

IUPAC3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)N1CC(O)CC1CN(C)C
InChIInChI=1S/C12H26N4O2/c1-4-9(6-12(13)14-18)16-8-11(17)5-10(16)7-15(2)3/h9-11,17-18H,4-8H2,1-3H3,(H2,13,14)
InChIKeyOWGWQJHKADWURI-UHFFFAOYSA-N
MW258.37 g/mol
LogP-0.10
Rot. Bonds6

About 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypentanimidamide

3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypentanimidamide (PubChem CID 77111703) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypentanimidamide
PubChem CID77111703
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Name3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)N1CC(O)CC1CN(C)C
InChIInChI=1S/C12H26N4O2/c1-4-9(6-12(13)14-18)16-8-11(17)5-10(16)7-15(2)3/h9-11,17-18H,4-8H2,1-3H3,(H2,13,14)
InChIKeyOWGWQJHKADWURI-UHFFFAOYSA-N
XLogP-0.10
TPSA85.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypentanimidamide (CID 77111703) is 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypentanimidamide is CCC(CC(N)=NO)N1CC(O)CC1CN(C)C.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypentanimidamide?
The InChIKey is OWGWQJHKADWURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-4-9(6-12(13)14-18)16-8-11(17)5-10(16)7-15(2)3/h9-11,17-18H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypentanimidamide?
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypentanimidamide has a molecular weight of 258.37 g/mol, XLogP of -0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypentanimidamide is sourced from PubChem (CID 77111703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).