3-[[1-(dimethylamino)cyclopentyl]methylamino]-N'-hydroxybutanimidamide

C12H26N4O — CID 83120864

IUPAC3-[[1-(dimethylamino)cyclopentyl]methylamino]-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)NCC1(N(C)C)CCCC1
InChIInChI=1S/C12H26N4O/c1-10(8-11(13)15-17)14-9-12(16(2)3)6-4-5-7-12/h10,14,17H,4-9H2,1-3H3,(H2,13,15)
InChIKeyQHEIGXWZBMNUDF-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.98
Rot. Bonds6

About 3-[[1-(dimethylamino)cyclopentyl]methylamino]-N'-hydroxybutanimidamide

3-[[1-(dimethylamino)cyclopentyl]methylamino]-N'-hydroxybutanimidamide (PubChem CID 83120864) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)cyclopentyl]methylamino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-[[1-(dimethylamino)cyclopentyl]methylamino]-N'-hydroxybutanimidamide
PubChem CID83120864
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name3-[[1-(dimethylamino)cyclopentyl]methylamino]-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)NCC1(N(C)C)CCCC1
InChIInChI=1S/C12H26N4O/c1-10(8-11(13)15-17)14-9-12(16(2)3)6-4-5-7-12/h10,14,17H,4-9H2,1-3H3,(H2,13,15)
InChIKeyQHEIGXWZBMNUDF-UHFFFAOYSA-N
XLogP0.98
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Related Compounds

2-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370107
3-[2-[di(propan-2-yl)amino]ethylamino]-N'-hydroxypentanimidamide
CID 64326774
3-[2-[cyclopentyl(methyl)amino]ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 64329262
2-[2-[cyclopentyl(methyl)amino]ethylamino]-N'-hydroxybutanimidamide
CID 64329887
5-[(1-Cyclopentylethyl)amino]-N-hydroxypentanimidamide
CID 64331554
N'-hydroxy-2-[(1-methylcyclopentyl)amino]propanimidamide
CID 64336594
3-[cyclopentylmethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
CID 76911361
2-[cyclopentylmethyl(methyl)amino]-N'-hydroxypropanimidamide
CID 76928375
3-[cyclopentylmethyl(methyl)amino]-N'-hydroxybutanimidamide
CID 76987566
3-[cyclopentylmethyl(methyl)amino]-N'-hydroxypentanimidamide
CID 77002624
2-[cyclopentylmethyl(methyl)amino]-N'-hydroxybutanimidamide
CID 77002650
2-[4-(cyclopentylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 77012139

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)cyclopentyl]methylamino]-N'-hydroxybutanimidamide?
The IUPAC name of 3-[[1-(dimethylamino)cyclopentyl]methylamino]-N'-hydroxybutanimidamide (CID 83120864) is 3-[[1-(dimethylamino)cyclopentyl]methylamino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-[[1-(dimethylamino)cyclopentyl]methylamino]-N'-hydroxybutanimidamide?
The canonical SMILES for 3-[[1-(dimethylamino)cyclopentyl]methylamino]-N'-hydroxybutanimidamide is CC(CC(N)=NO)NCC1(N(C)C)CCCC1.
What is the InChIKey of 3-[[1-(dimethylamino)cyclopentyl]methylamino]-N'-hydroxybutanimidamide?
The InChIKey is QHEIGXWZBMNUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-10(8-11(13)15-17)14-9-12(16(2)3)6-4-5-7-12/h10,14,17H,4-9H2,1-3H3,(H2,13,15).
What are the key properties of 3-[[1-(dimethylamino)cyclopentyl]methylamino]-N'-hydroxybutanimidamide?
3-[[1-(dimethylamino)cyclopentyl]methylamino]-N'-hydroxybutanimidamide has a molecular weight of 242.37 g/mol, XLogP of 0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)cyclopentyl]methylamino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 83120864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).