6-[2-[cyclopropyl(methyl)amino]ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide

C14H30N4O — CID 106711210

IUPAC6-[2-[cyclopropyl(methyl)amino]ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCN(CCNCCCCC(C)(C)C(N)=NO)C1CC1
InChIInChI=1S/C14H30N4O/c1-14(2,13(15)17-19)8-4-5-9-16-10-11-18(3)12-6-7-12/h12,16,19H,4-11H2,1-3H3,(H2,15,17)
InChIKeyNCNFCHXAKYJOIW-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.61
Rot. Bonds10

About 6-[2-[cyclopropyl(methyl)amino]ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide

6-[2-[cyclopropyl(methyl)amino]ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide (PubChem CID 106711210) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 6-[2-[cyclopropyl(methyl)amino]ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-[2-[cyclopropyl(methyl)amino]ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
PubChem CID106711210
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name6-[2-[cyclopropyl(methyl)amino]ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCN(CCNCCCCC(C)(C)C(N)=NO)C1CC1
InChIInChI=1S/C14H30N4O/c1-14(2,13(15)17-19)8-4-5-9-16-10-11-18(3)12-6-7-12/h12,16,19H,4-11H2,1-3H3,(H2,15,17)
InChIKeyNCNFCHXAKYJOIW-UHFFFAOYSA-N
XLogP1.61
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[methyl(oxan-4-yl)amino]hexanimidamide
CID 106710751
5-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064071
5-[3-(dimethylamino)propylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063885
6-[(1-ethylpiperidin-4-yl)-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710834
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
N'-hydroxy-2,2-dimethyl-6-[2-(4-methylcyclohexyl)ethylamino]hexanimidamide
CID 106711176
5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 106011988
N'-hydroxy-6-[(3-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide
CID 106136295
4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77072429
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea
CID 106711535
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
N'-hydroxy-6-[4-(2-methoxyethoxy)butylamino]-2,2-dimethylhexanimidamide
CID 106711583

Frequently Asked Questions

What is the IUPAC name of 6-[2-[cyclopropyl(methyl)amino]ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-[2-[cyclopropyl(methyl)amino]ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide (CID 106711210) is 6-[2-[cyclopropyl(methyl)amino]ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-[2-[cyclopropyl(methyl)amino]ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-[2-[cyclopropyl(methyl)amino]ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide is CN(CCNCCCCC(C)(C)C(N)=NO)C1CC1.
What is the InChIKey of 6-[2-[cyclopropyl(methyl)amino]ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The InChIKey is NCNFCHXAKYJOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-14(2,13(15)17-19)8-4-5-9-16-10-11-18(3)12-6-7-12/h12,16,19H,4-11H2,1-3H3,(H2,15,17).
What are the key properties of 6-[2-[cyclopropyl(methyl)amino]ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide?
6-[2-[cyclopropyl(methyl)amino]ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide has a molecular weight of 270.42 g/mol, XLogP of 1.61, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[cyclopropyl(methyl)amino]ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106711210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).