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

C10H21N3O — CID 114949793

IUPAC3-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CC1(O)CCCC1
InChIInChI=1S/C10H21N3O/c1-13(7-4-9(11)12)8-10(14)5-2-3-6-10/h14H,2-8H2,1H3,(H3,11,12)
InChIKeyLQRSAKYUKNPPCI-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.55
Rot. Bonds5

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

3-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide (PubChem CID 114949793) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide.

Molecular Properties

Compound Name3-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide
PubChem CID114949793
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CC1(O)CCCC1
InChIInChI=1S/C10H21N3O/c1-13(7-4-9(11)12)8-10(14)5-2-3-6-10/h14H,2-8H2,1H3,(H3,11,12)
InChIKeyLQRSAKYUKNPPCI-UHFFFAOYSA-N
XLogP0.55
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.55
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-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide
CID 103370240
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]butanimidamide
CID 77056341
N'-hydroxy-3-[(1-hydroxycyclopentyl)methylamino]-2-methylpropanimidamide
CID 77056348
N'-hydroxy-3-[(1-hydroxycyclopentyl)methylamino]pentanimidamide
CID 77056349
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

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide?
The IUPAC name of 3-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide (CID 114949793) is 3-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide.
What is the SMILES notation for 3-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide?
The canonical SMILES for 3-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide is [H]/N=C(\N)CCN(C)CC1(O)CCCC1.
What is the InChIKey of 3-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide?
The InChIKey is LQRSAKYUKNPPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-13(7-4-9(11)12)8-10(14)5-2-3-6-10/h14H,2-8H2,1H3,(H3,11,12).
What are the key properties of 3-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide?
3-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.55, 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]propanimidamide is sourced from PubChem (CID 114949793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).