6-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylhexanimidamide

C16H33N3O — CID 106712040

IUPAC6-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCN(CCO)C1CCCCC1
InChIInChI=1S/C16H33N3O/c1-16(2,15(17)18)10-6-7-11-19(12-13-20)14-8-4-3-5-9-14/h14,20H,3-13H2,1-2H3,(H3,17,18)
InChIKeyHLELQOYAWSKRQQ-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.75
Rot. Bonds9

About 6-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylhexanimidamide

6-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylhexanimidamide (PubChem CID 106712040) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 6-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylhexanimidamide
PubChem CID106712040
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name6-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCN(CCO)C1CCCCC1
InChIInChI=1S/C16H33N3O/c1-16(2,15(17)18)10-6-7-11-19(12-13-20)14-8-4-3-5-9-14/h14,20H,3-13H2,1-2H3,(H3,17,18)
InChIKeyHLELQOYAWSKRQQ-UHFFFAOYSA-N
XLogP2.75
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.75
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

5-[cyclopentyl(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide
CID 65258525
5-[cyclohexyl(ethyl)amino]-2,2-dimethylpentanimidamide
CID 65258758
6-[cyclopropyl(ethyl)amino]-2,2-dimethylhexanimidamide
CID 106711942
2-[(6-amino-5,5-dimethylhexyl)-cyclohexylamino]ethanol
CID 106708020
4-[cyclobutyl(2-hydroxyethyl)amino]butanimidamide
CID 102863095
5-[cyclopropyl(2-methylpropyl)amino]-2,2-dimethylpentanimidamide
CID 65258573
2-[cyclopentyl(octyl)amino]ethanol
CID 62015443
6-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylhexanimidamide
CID 106712213
6-(diethylamino)-2,2-dimethylhexanimidamide
CID 106711904
2,2-dimethyl-6-[methyl(oxan-2-ylmethyl)amino]hexanimidamide
CID 106712008
5-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile
CID 65255331
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532

Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylhexanimidamide?
The IUPAC name of 6-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylhexanimidamide (CID 106712040) is 6-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylhexanimidamide is [H]/N=C(\N)C(C)(C)CCCCN(CCO)C1CCCCC1.
What is the InChIKey of 6-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylhexanimidamide?
The InChIKey is HLELQOYAWSKRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-16(2,15(17)18)10-6-7-11-19(12-13-20)14-8-4-3-5-9-14/h14,20H,3-13H2,1-2H3,(H3,17,18).
What are the key properties of 6-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylhexanimidamide?
6-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylhexanimidamide has a molecular weight of 283.46 g/mol, XLogP of 2.75, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106712040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).