2-amino-6-(2-ethylazepan-1-yl)-2-methylhexan-1-ol

C15H32N2O — CID 104692730

IUPAC2-amino-6-(2-ethylazepan-1-yl)-2-methylhexan-1-ol
SMILESCCC1CCCCCN1CCCCC(C)(N)CO
InChIInChI=1S/C15H32N2O/c1-3-14-9-5-4-7-11-17(14)12-8-6-10-15(2,16)13-18/h14,18H,3-13,16H2,1-2H3
InChIKeyIUKPNCKBPAZTQV-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.52
Rot. Bonds7

About 2-amino-6-(2-ethylazepan-1-yl)-2-methylhexan-1-ol

2-amino-6-(2-ethylazepan-1-yl)-2-methylhexan-1-ol (PubChem CID 104692730) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-amino-6-(2-ethylazepan-1-yl)-2-methylhexan-1-ol.

Molecular Properties

Compound Name2-amino-6-(2-ethylazepan-1-yl)-2-methylhexan-1-ol
PubChem CID104692730
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-amino-6-(2-ethylazepan-1-yl)-2-methylhexan-1-ol
SMILESCCC1CCCCCN1CCCCC(C)(N)CO
InChIInChI=1S/C15H32N2O/c1-3-14-9-5-4-7-11-17(14)12-8-6-10-15(2,16)13-18/h14,18H,3-13,16H2,1-2H3
InChIKeyIUKPNCKBPAZTQV-UHFFFAOYSA-N
XLogP2.52
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.52
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

1-amino-6-(2-ethylazepan-1-yl)-2-methylhexan-2-ol
CID 104692759
4-(2-ethylpiperidin-1-yl)butan-1-ol
CID 43509675
2-amino-6-(2-cyclopentylpyrrolidin-1-yl)-2-methylhexan-1-ol
CID 64826534
2-ethyl-5-(2-ethylazepan-1-yl)-2-(methylamino)pentan-1-ol
CID 106809858
3-(2-ethylazepan-1-yl)propan-1-amine
CID 112545599
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-2-methylhexan-1-ol
CID 65322125
1-(2-ethylazepan-1-yl)-2-methylpentan-2-amine
CID 104690407
2-ethyl-5-(2-ethylazepan-1-yl)-2-(propylamino)pentan-1-ol
CID 106809860
1-dodecyl-2-ethylpiperidine
CID 171569899
N-[3-(2-ethylazepan-1-yl)propyl]-2-methylpropan-2-amine
CID 104689524
2-ethyl-1-nonylpiperidine;hydrofluoride
CID 175849535
2-amino-6-(3-ethyl-4-methylpiperazin-1-yl)-2-methylhexan-1-ol
CID 64790790

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-ethylazepan-1-yl)-2-methylhexan-1-ol?
The IUPAC name of 2-amino-6-(2-ethylazepan-1-yl)-2-methylhexan-1-ol (CID 104692730) is 2-amino-6-(2-ethylazepan-1-yl)-2-methylhexan-1-ol.
What is the SMILES notation for 2-amino-6-(2-ethylazepan-1-yl)-2-methylhexan-1-ol?
The canonical SMILES for 2-amino-6-(2-ethylazepan-1-yl)-2-methylhexan-1-ol is CCC1CCCCCN1CCCCC(C)(N)CO.
What is the InChIKey of 2-amino-6-(2-ethylazepan-1-yl)-2-methylhexan-1-ol?
The InChIKey is IUKPNCKBPAZTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-3-14-9-5-4-7-11-17(14)12-8-6-10-15(2,16)13-18/h14,18H,3-13,16H2,1-2H3.
What are the key properties of 2-amino-6-(2-ethylazepan-1-yl)-2-methylhexan-1-ol?
2-amino-6-(2-ethylazepan-1-yl)-2-methylhexan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-ethylazepan-1-yl)-2-methylhexan-1-ol is sourced from PubChem (CID 104692730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).