N'-hydroxy-2,2-dimethyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pentanimidamide

C13H25N5O — CID 77063115

IUPACN'-hydroxy-2,2-dimethyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pentanimidamide
SMILESCn1ccnc1CCNCCCC(C)(C)C(N)=NO
InChIInChI=1S/C13H25N5O/c1-13(2,12(14)17-19)6-4-7-15-8-5-11-16-9-10-18(11)3/h9-10,15,19H,4-8H2,1-3H3,(H2,14,17)
InChIKeyAWWCDPNJGRLNNQ-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.11
Rot. Bonds8

About N'-hydroxy-2,2-dimethyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pentanimidamide

N'-hydroxy-2,2-dimethyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pentanimidamide (PubChem CID 77063115) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pentanimidamide
PubChem CID77063115
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC NameN'-hydroxy-2,2-dimethyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pentanimidamide
SMILESCn1ccnc1CCNCCCC(C)(C)C(N)=NO
InChIInChI=1S/C13H25N5O/c1-13(2,12(14)17-19)6-4-7-15-8-5-11-16-9-10-18(11)3/h9-10,15,19H,4-8H2,1-3H3,(H2,14,17)
InChIKeyAWWCDPNJGRLNNQ-UHFFFAOYSA-N
XLogP1.11
TPSA88.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-methyl-1,2,4-triazol-3-yl)ethylamino]hexanimidamide
CID 106711154
N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 61214559
3,3,3-trifluoro-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 64554814
N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 107445440
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
2-methyl-1-[2-(1-methylimidazol-2-yl)ethylamino]butan-2-ol
CID 114493001
3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 64503736
4-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]butanamide
CID 77063642
N-[2-(1-methylimidazol-2-yl)ethyl]-4-phenylbutan-1-amine
CID 114333307
N-(2-tert-butylsulfonylethyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 106723544
N'-hydroxy-2-[2-(1-methylimidazol-2-yl)ethylamino]butanimidamide
CID 77031327
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-(1-methylimidazol-2-yl)ethylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pentanimidamide (CID 77063115) is N'-hydroxy-2,2-dimethyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pentanimidamide is Cn1ccnc1CCNCCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pentanimidamide?
The InChIKey is AWWCDPNJGRLNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-13(2,12(14)17-19)6-4-7-15-8-5-11-16-9-10-18(11)3/h9-10,15,19H,4-8H2,1-3H3,(H2,14,17).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pentanimidamide has a molecular weight of 267.38 g/mol, XLogP of 1.11, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pentanimidamide is sourced from PubChem (CID 77063115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).