6-[2-(N-methylanilino)ethylamino]hexan-1-ol

C15H26N2O — CID 70258646

IUPAC6-[2-(N-methylanilino)ethylamino]hexan-1-ol
SMILESCN(CCNCCCCCCO)c1ccccc1
InChIInChI=1S/C15H26N2O/c1-17(15-9-5-4-6-10-15)13-12-16-11-7-2-3-8-14-18/h4-6,9-10,16,18H,2-3,7-8,11-14H2,1H3
InChIKeyAUKJSGIZFHZEOS-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.27
Rot. Bonds10

About 6-[2-(N-methylanilino)ethylamino]hexan-1-ol

6-[2-(N-methylanilino)ethylamino]hexan-1-ol (PubChem CID 70258646) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 6-[2-(N-methylanilino)ethylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[2-(N-methylanilino)ethylamino]hexan-1-ol
PubChem CID70258646
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name6-[2-(N-methylanilino)ethylamino]hexan-1-ol
SMILESCN(CCNCCCCCCO)c1ccccc1
InChIInChI=1S/C15H26N2O/c1-17(15-9-5-4-6-10-15)13-12-16-11-7-2-3-8-14-18/h4-6,9-10,16,18H,2-3,7-8,11-14H2,1H3
InChIKeyAUKJSGIZFHZEOS-UHFFFAOYSA-N
XLogP2.27
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.27
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

2-[6-(N-methylanilino)hexylamino]ethanol
CID 70247662
N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine
CID 114525044
5-[3-(N-methylanilino)propylamino]pentanoic acid
CID 103232553
N-hept-6-enyl-N'-methyl-N'-phenylpropane-1,3-diamine
CID 107006435
N-(3,3-dimethylbutyl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 55085467
2-ethyl-2-[[3-(N-methylanilino)propylamino]methyl]butan-1-ol
CID 81410876
N'-methyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine
CID 62574258
N'-methyl-N'-phenyl-N-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 60694773
5-(4-phenylbutylamino)pentan-1-ol
CID 107317257
ethyl 3-[3-(N-methylanilino)propylamino]propanoate
CID 43242647
[1-[[3-(N-methylanilino)propylamino]methyl]cyclohexyl]methanol
CID 81399355
1-[[3-(N-methylanilino)propylamino]methyl]cyclopentan-1-ol
CID 65211250

Frequently Asked Questions

What is the IUPAC name of 6-[2-(N-methylanilino)ethylamino]hexan-1-ol?
The IUPAC name of 6-[2-(N-methylanilino)ethylamino]hexan-1-ol (CID 70258646) is 6-[2-(N-methylanilino)ethylamino]hexan-1-ol.
What is the SMILES notation for 6-[2-(N-methylanilino)ethylamino]hexan-1-ol?
The canonical SMILES for 6-[2-(N-methylanilino)ethylamino]hexan-1-ol is CN(CCNCCCCCCO)c1ccccc1.
What is the InChIKey of 6-[2-(N-methylanilino)ethylamino]hexan-1-ol?
The InChIKey is AUKJSGIZFHZEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-17(15-9-5-4-6-10-15)13-12-16-11-7-2-3-8-14-18/h4-6,9-10,16,18H,2-3,7-8,11-14H2,1H3.
What are the key properties of 6-[2-(N-methylanilino)ethylamino]hexan-1-ol?
6-[2-(N-methylanilino)ethylamino]hexan-1-ol has a molecular weight of 250.39 g/mol, XLogP of 2.27, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(N-methylanilino)ethylamino]hexan-1-ol is sourced from PubChem (CID 70258646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).