2-aminoethanol;N-octyloctan-1-amine

C18H42N2O — CID 158421885

IUPAC2-aminoethanol;N-octyloctan-1-amine
SMILESCCCCCCCCNCCCCCCCC.NCCO
InChIInChI=1S/C16H35N.C2H7NO/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;3-1-2-4/h17H,3-16H2,1-2H3;4H,1-3H2
InChIKeyHAOWDYBNGHHMMQ-UHFFFAOYSA-N
MW302.55 g/mol
LogP4.23
Rot. Bonds15

About 2-aminoethanol;N-octyloctan-1-amine

2-aminoethanol;N-octyloctan-1-amine (PubChem CID 158421885) has the molecular formula C18H42N2O and a molecular weight of 302.55 g/mol. Its IUPAC name is 2-aminoethanol;N-octyloctan-1-amine.

Molecular Properties

Compound Name2-aminoethanol;N-octyloctan-1-amine
PubChem CID158421885
Molecular FormulaC18H42N2O
Molecular Weight302.55 g/mol
Exact Mass302.33
IUPAC Name2-aminoethanol;N-octyloctan-1-amine
SMILESCCCCCCCCNCCCCCCCC.NCCO
InChIInChI=1S/C16H35N.C2H7NO/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;3-1-2-4/h17H,3-16H2,1-2H3;4H,1-3H2
InChIKeyHAOWDYBNGHHMMQ-UHFFFAOYSA-N
XLogP4.23
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.55
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

pentacosan-1-amine;3-(pentacosylamino)propan-1-ol
CID 155339382
N-hexylhexan-1-amine;propan-1-amine
CID 87675299
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CID 18783196
N'-henicosylethane-1,2-diamine
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heptan-1-amine;N-nonylnonan-1-amine
CID 175163208
8-(undecylamino)octan-1-ol
CID 139305047
N'-dodecylheptane-1,7-diamine
CID 122537296
hexan-1-amine;N-hexylhexan-1-amine
CID 118077352
N'-pentyltridecane-1,13-diamine
CID 174397381
N'-[2-(hexatriacontylamino)ethyl]ethane-1,2-diamine
CID 88704371
4-(octylamino)butan-1-ol;hydrochloride
CID 71413305
N'-nonylpropane-1,3-diamine;hydrochloride
CID 170875320

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;N-octyloctan-1-amine?
The IUPAC name of 2-aminoethanol;N-octyloctan-1-amine (CID 158421885) is 2-aminoethanol;N-octyloctan-1-amine.
What is the SMILES notation for 2-aminoethanol;N-octyloctan-1-amine?
The canonical SMILES for 2-aminoethanol;N-octyloctan-1-amine is CCCCCCCCNCCCCCCCC.NCCO.
What is the InChIKey of 2-aminoethanol;N-octyloctan-1-amine?
The InChIKey is HAOWDYBNGHHMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N.C2H7NO/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;3-1-2-4/h17H,3-16H2,1-2H3;4H,1-3H2.
What are the key properties of 2-aminoethanol;N-octyloctan-1-amine?
2-aminoethanol;N-octyloctan-1-amine has a molecular weight of 302.55 g/mol, XLogP of 4.23, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;N-octyloctan-1-amine is sourced from PubChem (CID 158421885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).