N'-hydroxy-2,2-dimethyl-5-[2-(4-methylcyclohexyl)ethylamino]pentanimidamide

C16H33N3O — CID 77063815

IUPACN'-hydroxy-2,2-dimethyl-5-[2-(4-methylcyclohexyl)ethylamino]pentanimidamide
SMILESCC1CCC(CCNCCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C16H33N3O/c1-13-5-7-14(8-6-13)9-12-18-11-4-10-16(2,3)15(17)19-20/h13-14,18,20H,4-12H2,1-3H3,(H2,17,19)
InChIKeyMEIKHUYUVJWQQQ-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.35
Rot. Bonds8

About N'-hydroxy-2,2-dimethyl-5-[2-(4-methylcyclohexyl)ethylamino]pentanimidamide

N'-hydroxy-2,2-dimethyl-5-[2-(4-methylcyclohexyl)ethylamino]pentanimidamide (PubChem CID 77063815) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-[2-(4-methylcyclohexyl)ethylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-[2-(4-methylcyclohexyl)ethylamino]pentanimidamide
PubChem CID77063815
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN'-hydroxy-2,2-dimethyl-5-[2-(4-methylcyclohexyl)ethylamino]pentanimidamide
SMILESCC1CCC(CCNCCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C16H33N3O/c1-13-5-7-14(8-6-13)9-12-18-11-4-10-16(2,3)15(17)19-20/h13-14,18,20H,4-12H2,1-3H3,(H2,17,19)
InChIKeyMEIKHUYUVJWQQQ-UHFFFAOYSA-N
XLogP3.35
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.35
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2,2-dimethyl-6-[2-(4-methylcyclohexyl)ethylamino]hexanimidamide
CID 106711176
N'-hydroxy-2,2-dimethyl-5-[(4-methylcyclohexyl)methylamino]pentanimidamide
CID 77063607
4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77072429
5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 106011988
4-(2-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 104864449
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
5-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063648
N'-hydroxy-6-[(3-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide
CID 106136295
N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanimidamide
CID 114130997
4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061981
4-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]butanamide
CID 77063642
5-[3-(dimethylamino)propylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063885

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-[2-(4-methylcyclohexyl)ethylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-[2-(4-methylcyclohexyl)ethylamino]pentanimidamide (CID 77063815) is N'-hydroxy-2,2-dimethyl-5-[2-(4-methylcyclohexyl)ethylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-[2-(4-methylcyclohexyl)ethylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-[2-(4-methylcyclohexyl)ethylamino]pentanimidamide is CC1CCC(CCNCCCC(C)(C)C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-[2-(4-methylcyclohexyl)ethylamino]pentanimidamide?
The InChIKey is MEIKHUYUVJWQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-13-5-7-14(8-6-13)9-12-18-11-4-10-16(2,3)15(17)19-20/h13-14,18,20H,4-12H2,1-3H3,(H2,17,19).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-[2-(4-methylcyclohexyl)ethylamino]pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-[2-(4-methylcyclohexyl)ethylamino]pentanimidamide has a molecular weight of 283.46 g/mol, XLogP of 3.35, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-5-[2-(4-methylcyclohexyl)ethylamino]pentanimidamide is sourced from PubChem (CID 77063815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).