5-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide

C12H25N3O — CID 114949782

IUPAC5-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide
SMILES[H]/N=C(\N)CCCCN(C)CC1(O)CCCC1
InChIInChI=1S/C12H25N3O/c1-15(9-5-2-6-11(13)14)10-12(16)7-3-4-8-12/h16H,2-10H2,1H3,(H3,13,14)
InChIKeyLVXWASWXMUKAOT-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.33
Rot. Bonds7

About 5-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide

5-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide (PubChem CID 114949782) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 5-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide.

Molecular Properties

Compound Name5-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide
PubChem CID114949782
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name5-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide
SMILES[H]/N=C(\N)CCCCN(C)CC1(O)CCCC1
InChIInChI=1S/C12H25N3O/c1-15(9-5-2-6-11(13)14)10-12(16)7-3-4-8-12/h16H,2-10H2,1H3,(H3,13,14)
InChIKeyLVXWASWXMUKAOT-UHFFFAOYSA-N
XLogP1.33
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

3,3,3-Trifluoro-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide
CID 103370840
N'-hydroxy-5-[(1-hydroxycyclopentyl)methylamino]pentanimidamide
CID 77056283
N'-hydroxy-3-[(1-hydroxycyclopentyl)methylamino]propanimidamide
CID 77056309
N'-hydroxy-4-[(1-hydroxycyclopentyl)methylamino]butanimidamide
CID 77056315
N'-hydroxy-3-[(1-hydroxycyclopentyl)methylamino]-2-methylpropanimidamide
CID 77056348
N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide
CID 104985380
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-5-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylpentanimidamide
CID 104985386

Frequently Asked Questions

What is the IUPAC name of 5-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide?
The IUPAC name of 5-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide (CID 114949782) is 5-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide.
What is the SMILES notation for 5-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide?
The canonical SMILES for 5-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide is [H]/N=C(\N)CCCCN(C)CC1(O)CCCC1.
What is the InChIKey of 5-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide?
The InChIKey is LVXWASWXMUKAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-15(9-5-2-6-11(13)14)10-12(16)7-3-4-8-12/h16H,2-10H2,1H3,(H3,13,14).
What are the key properties of 5-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide?
5-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide has a molecular weight of 227.35 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide is sourced from PubChem (CID 114949782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).