3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide

C11H23N3O — CID 114949776

IUPAC3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)CC1(O)CCCC1
InChIInChI=1S/C11H23N3O/c1-9(7-10(12)13)14(2)8-11(15)5-3-4-6-11/h9,15H,3-8H2,1-2H3,(H3,12,13)
InChIKeyZIHUXPQYPNAPFJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.94
Rot. Bonds5

About 3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide

3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide (PubChem CID 114949776) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide.

Molecular Properties

Compound Name3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide
PubChem CID114949776
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)CC1(O)CCCC1
InChIInChI=1S/C11H23N3O/c1-9(7-10(12)13)14(2)8-11(15)5-3-4-6-11/h9,15H,3-8H2,1-2H3,(H3,12,13)
InChIKeyZIHUXPQYPNAPFJ-UHFFFAOYSA-N
XLogP0.94
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3,3,3-Trifluoro-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide
CID 103370840
N'-hydroxy-3-[(1-hydroxycyclopentyl)methylamino]butanimidamide
CID 77056341
N'-hydroxy-3-[(1-hydroxycyclopentyl)methylamino]pentanimidamide
CID 77056349
3-(3-Hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide
CID 103356368
N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide
CID 104985381
N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide
CID 104985382
N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide
CID 104985383
N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide
CID 104985384
N'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide
CID 104985385
N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylpropanimidamide
CID 104985387
N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide
CID 104985388
6-[(1-Hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide
CID 106712230

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide?
The IUPAC name of 3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide (CID 114949776) is 3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide.
What is the SMILES notation for 3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide?
The canonical SMILES for 3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide is [H]/N=C(\N)CC(C)N(C)CC1(O)CCCC1.
What is the InChIKey of 3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide?
The InChIKey is ZIHUXPQYPNAPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(7-10(12)13)14(2)8-11(15)5-3-4-6-11/h9,15H,3-8H2,1-2H3,(H3,12,13).
What are the key properties of 3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide?
3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide has a molecular weight of 213.32 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide is sourced from PubChem (CID 114949776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).