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

C15H31N3O — CID 77063607

IUPACN'-hydroxy-2,2-dimethyl-5-[(4-methylcyclohexyl)methylamino]pentanimidamide
SMILESCC1CCC(CNCCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C15H31N3O/c1-12-5-7-13(8-6-12)11-17-10-4-9-15(2,3)14(16)18-19/h12-13,17,19H,4-11H2,1-3H3,(H2,16,18)
InChIKeyLPUJVOJNXQUVEY-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.96
Rot. Bonds7

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

N'-hydroxy-2,2-dimethyl-5-[(4-methylcyclohexyl)methylamino]pentanimidamide (PubChem CID 77063607) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-[(4-methylcyclohexyl)methylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-[(4-methylcyclohexyl)methylamino]pentanimidamide
PubChem CID77063607
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN'-hydroxy-2,2-dimethyl-5-[(4-methylcyclohexyl)methylamino]pentanimidamide
SMILESCC1CCC(CNCCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C15H31N3O/c1-12-5-7-13(8-6-12)11-17-10-4-9-15(2,3)14(16)18-19/h12-13,17,19H,4-11H2,1-3H3,(H2,16,18)
InChIKeyLPUJVOJNXQUVEY-UHFFFAOYSA-N
XLogP2.96
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.96
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-5-[2-(4-methylcyclohexyl)ethylamino]pentanimidamide
CID 77063815
N'-hydroxy-2,2-dimethyl-6-[2-(4-methylcyclohexyl)ethylamino]hexanimidamide
CID 106711176
4-(cyclopentylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062172
N'-hydroxy-6-[(3-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide
CID 106136295
N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanimidamide
CID 114130997
5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 106011988
N'-hydroxy-2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pentanimidamide
CID 79350192
4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77072429
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063998
5-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063648
N'-hydroxy-2,2-dimethyl-5-(thian-2-ylmethylamino)pentanimidamide
CID 80600323

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-[(4-methylcyclohexyl)methylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-[(4-methylcyclohexyl)methylamino]pentanimidamide (CID 77063607) is N'-hydroxy-2,2-dimethyl-5-[(4-methylcyclohexyl)methylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-[(4-methylcyclohexyl)methylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-[(4-methylcyclohexyl)methylamino]pentanimidamide is CC1CCC(CNCCCC(C)(C)C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-[(4-methylcyclohexyl)methylamino]pentanimidamide?
The InChIKey is LPUJVOJNXQUVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-12-5-7-13(8-6-12)11-17-10-4-9-15(2,3)14(16)18-19/h12-13,17,19H,4-11H2,1-3H3,(H2,16,18).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-[(4-methylcyclohexyl)methylamino]pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-[(4-methylcyclohexyl)methylamino]pentanimidamide has a molecular weight of 269.43 g/mol, XLogP of 2.96, 7 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-[(4-methylcyclohexyl)methylamino]pentanimidamide is sourced from PubChem (CID 77063607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).