6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide

C15H31N3O — CID 106712230

IUPAC6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCN(C)CC1(O)CCCC1
InChIInChI=1S/C15H31N3O/c1-14(2,13(16)17)8-6-7-11-18(3)12-15(19)9-4-5-10-15/h19H,4-12H2,1-3H3,(H3,16,17)
InChIKeyCRDFOGRPLFFQGL-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.36
Rot. Bonds8

About 6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide

6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide (PubChem CID 106712230) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide
PubChem CID106712230
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCN(C)CC1(O)CCCC1
InChIInChI=1S/C15H31N3O/c1-14(2,13(16)17)8-6-7-11-18(3)12-15(19)9-4-5-10-15/h19H,4-12H2,1-3H3,(H3,16,17)
InChIKeyCRDFOGRPLFFQGL-UHFFFAOYSA-N
XLogP2.36
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.36
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

N'-hydroxy-4-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylbutanimidamide
CID 77062659
N'-hydroxy-5-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylpentanimidamide
CID 77063379
5-[(2-Hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpentanimidamide
CID 79387380
5-[Ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylpentanimidamide
CID 79388024
5-(3-Hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpentanimidamide
CID 103356366
N'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide
CID 104985385
N'-hydroxy-5-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylpentanimidamide
CID 104985386
N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide
CID 104985388
N'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylbutanimidamide
CID 104985389
N'-hydroxy-6-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide
CID 106711345
N'-hydroxy-6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide
CID 106711666
6-[(2-Hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylhexanimidamide
CID 106712169

Frequently Asked Questions

What is the IUPAC name of 6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide?
The IUPAC name of 6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide (CID 106712230) is 6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide is [H]/N=C(\N)C(C)(C)CCCCN(C)CC1(O)CCCC1.
What is the InChIKey of 6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide?
The InChIKey is CRDFOGRPLFFQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-14(2,13(16)17)8-6-7-11-18(3)12-15(19)9-4-5-10-15/h19H,4-12H2,1-3H3,(H3,16,17).
What are the key properties of 6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide?
6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide has a molecular weight of 269.43 g/mol, XLogP of 2.36, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106712230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).