2-[(6-amino-5,5-dimethylhexyl)-cyclohexylamino]ethanol

C16H34N2O — CID 106708020

IUPAC2-[(6-amino-5,5-dimethylhexyl)-cyclohexylamino]ethanol
SMILESCC(C)(CN)CCCCN(CCO)C1CCCCC1
InChIInChI=1S/C16H34N2O/c1-16(2,14-17)10-6-7-11-18(12-13-19)15-8-4-3-5-9-15/h15,19H,3-14,17H2,1-2H3
InChIKeyNMRDOULXQBRVRC-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.77
Rot. Bonds9

About 2-[(6-amino-5,5-dimethylhexyl)-cyclohexylamino]ethanol

2-[(6-amino-5,5-dimethylhexyl)-cyclohexylamino]ethanol (PubChem CID 106708020) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-[(6-amino-5,5-dimethylhexyl)-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-5,5-dimethylhexyl)-cyclohexylamino]ethanol
PubChem CID106708020
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-[(6-amino-5,5-dimethylhexyl)-cyclohexylamino]ethanol
SMILESCC(C)(CN)CCCCN(CCO)C1CCCCC1
InChIInChI=1S/C16H34N2O/c1-16(2,14-17)10-6-7-11-18(12-13-19)15-8-4-3-5-9-15/h15,19H,3-14,17H2,1-2H3
InChIKeyNMRDOULXQBRVRC-UHFFFAOYSA-N
XLogP2.77
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylhexanimidamide
CID 106712040
5-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile
CID 65255331
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
2-[cyclopentyl(octyl)amino]ethanol
CID 62015443
2-[cyclobutyl(3,3-dimethylbutyl)amino]ethanol
CID 102676970
5-[cyclopentyl(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide
CID 65258525
2-[cyclopentyl(4-methoxybutyl)amino]ethanol
CID 115679647
N'-cyclopropyl-2,2-dimethyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 79005112
2-[3-chloropropyl(cyclopentyl)amino]ethanol
CID 55208194
2-[[2-(aminomethyl)-2-ethylbutyl]-cyclopentylamino]ethanol
CID 62260812
2-[cyclohexyl(3-methylsulfonylpropyl)amino]ethanol
CID 55163330
4-[cyclobutyl(3-hydroxypropyl)amino]butan-1-ol
CID 102848477

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5,5-dimethylhexyl)-cyclohexylamino]ethanol?
The IUPAC name of 2-[(6-amino-5,5-dimethylhexyl)-cyclohexylamino]ethanol (CID 106708020) is 2-[(6-amino-5,5-dimethylhexyl)-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[(6-amino-5,5-dimethylhexyl)-cyclohexylamino]ethanol?
The canonical SMILES for 2-[(6-amino-5,5-dimethylhexyl)-cyclohexylamino]ethanol is CC(C)(CN)CCCCN(CCO)C1CCCCC1.
What is the InChIKey of 2-[(6-amino-5,5-dimethylhexyl)-cyclohexylamino]ethanol?
The InChIKey is NMRDOULXQBRVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-16(2,14-17)10-6-7-11-18(12-13-19)15-8-4-3-5-9-15/h15,19H,3-14,17H2,1-2H3.
What are the key properties of 2-[(6-amino-5,5-dimethylhexyl)-cyclohexylamino]ethanol?
2-[(6-amino-5,5-dimethylhexyl)-cyclohexylamino]ethanol has a molecular weight of 270.46 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5,5-dimethylhexyl)-cyclohexylamino]ethanol is sourced from PubChem (CID 106708020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).