2-(4-octyl-1,4-diazepan-1-yl)ethanol

C15H32N2O — CID 63309782

IUPAC2-(4-octyl-1,4-diazepan-1-yl)ethanol
SMILESCCCCCCCCN1CCCN(CCO)CC1
InChIInChI=1S/C15H32N2O/c1-2-3-4-5-6-7-9-16-10-8-11-17(13-12-16)14-15-18/h18H,2-15H2,1H3
InChIKeyUNNZAGKOKNVADJ-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.35
Rot. Bonds9

About 2-(4-octyl-1,4-diazepan-1-yl)ethanol

2-(4-octyl-1,4-diazepan-1-yl)ethanol (PubChem CID 63309782) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-(4-octyl-1,4-diazepan-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-octyl-1,4-diazepan-1-yl)ethanol
PubChem CID63309782
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-(4-octyl-1,4-diazepan-1-yl)ethanol
SMILESCCCCCCCCN1CCCN(CCO)CC1
InChIInChI=1S/C15H32N2O/c1-2-3-4-5-6-7-9-16-10-8-11-17(13-12-16)14-15-18/h18H,2-15H2,1H3
InChIKeyUNNZAGKOKNVADJ-UHFFFAOYSA-N
XLogP2.35
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4,7,10-tetraheptyl-1,4,7,10-tetrazacyclotridecane
CID 24824731
1-heptylazetidine
CID 134402356
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
(4-nonylpiperazin-1-yl)methanol
CID 574800
1-octylazonane
CID 20533821
1-dodecylazepane
CID 3366129
1-decylpiperidine
CID 4649960
octakis(hexadecane);2-[1-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-[4-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-1-yl]ethanol;2-[12-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-(1,4,8,12-tetrazacyclopentadec-1-yl)ethanol;2-(1,4,8,12-tetrazacyclopentadec-8-yl)ethanol
CID 159348371
2-[4,8-bis(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;dodecakis(heptadecane);2-[4-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-[11-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol;2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol
CID 158360300
2-[4,8-bis(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;octakis(dodecane);2-[4-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-[11-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol
CID 157087771
2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]ethanol
CID 43253174

Frequently Asked Questions

What is the IUPAC name of 2-(4-octyl-1,4-diazepan-1-yl)ethanol?
The IUPAC name of 2-(4-octyl-1,4-diazepan-1-yl)ethanol (CID 63309782) is 2-(4-octyl-1,4-diazepan-1-yl)ethanol.
What is the SMILES notation for 2-(4-octyl-1,4-diazepan-1-yl)ethanol?
The canonical SMILES for 2-(4-octyl-1,4-diazepan-1-yl)ethanol is CCCCCCCCN1CCCN(CCO)CC1.
What is the InChIKey of 2-(4-octyl-1,4-diazepan-1-yl)ethanol?
The InChIKey is UNNZAGKOKNVADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-2-3-4-5-6-7-9-16-10-8-11-17(13-12-16)14-15-18/h18H,2-15H2,1H3.
What are the key properties of 2-(4-octyl-1,4-diazepan-1-yl)ethanol?
2-(4-octyl-1,4-diazepan-1-yl)ethanol has a molecular weight of 256.43 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-octyl-1,4-diazepan-1-yl)ethanol is sourced from PubChem (CID 63309782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).