4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide

C11H23N3O — CID 114949784

IUPAC4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide
SMILES[H]/N=C(\N)CCCN(C)CC1(O)CCCC1
InChIInChI=1S/C11H23N3O/c1-14(8-4-5-10(12)13)9-11(15)6-2-3-7-11/h15H,2-9H2,1H3,(H3,12,13)
InChIKeySDVOMPOKHSAXTE-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.94
Rot. Bonds6

About 4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide

4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide (PubChem CID 114949784) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide.

Molecular Properties

Compound Name4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide
PubChem CID114949784
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide
SMILES[H]/N=C(\N)CCCN(C)CC1(O)CCCC1
InChIInChI=1S/C11H23N3O/c1-14(8-4-5-10(12)13)9-11(15)6-2-3-7-11/h15H,2-9H2,1H3,(H3,12,13)
InChIKeySDVOMPOKHSAXTE-UHFFFAOYSA-N
XLogP0.94
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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-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 4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide?
The IUPAC name of 4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide (CID 114949784) is 4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide.
What is the SMILES notation for 4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide?
The canonical SMILES for 4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide is [H]/N=C(\N)CCCN(C)CC1(O)CCCC1.
What is the InChIKey of 4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide?
The InChIKey is SDVOMPOKHSAXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-14(8-4-5-10(12)13)9-11(15)6-2-3-7-11/h15H,2-9H2,1H3,(H3,12,13).
What are the key properties of 4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide?
4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide has a molecular weight of 213.32 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide is sourced from PubChem (CID 114949784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).