2-[ethyl(nonyl)amino]ethanol

C13H29NO — CID 62021397

IUPAC2-[ethyl(nonyl)amino]ethanol
SMILESCCCCCCCCCN(CC)CCO
InChIInChI=1S/C13H29NO/c1-3-5-6-7-8-9-10-11-14(4-2)12-13-15/h15H,3-13H2,1-2H3
InChIKeyKXQWKISDZZGQBC-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.05
Rot. Bonds11

About 2-[ethyl(nonyl)amino]ethanol

2-[ethyl(nonyl)amino]ethanol (PubChem CID 62021397) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 2-[ethyl(nonyl)amino]ethanol.

Molecular Properties

Compound Name2-[ethyl(nonyl)amino]ethanol
PubChem CID62021397
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name2-[ethyl(nonyl)amino]ethanol
SMILESCCCCCCCCCN(CC)CCO
InChIInChI=1S/C13H29NO/c1-3-5-6-7-8-9-10-11-14(4-2)12-13-15/h15H,3-13H2,1-2H3
InChIKeyKXQWKISDZZGQBC-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl(hexadecyl)amino]propan-1-ol
CID 138077517
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549
2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073
2-[2-hydroxyethyl(octadecyl)amino]ethanol;hydrochloride
CID 22999610
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
CID 158613342
1-[ethyl(2-hydroxyethyl)amino]tridecan-7-one
CID 171836778
3-[hexyl(2-hydroxyethyl)amino]propan-1-ol
CID 138077793
2-[octadecyl(propyl)amino]ethanol
CID 151447456
2-[hexadecyl(propyl)amino]ethanol
CID 18346925
2-[3-[bis(2-hydroxyethyl)amino]propyl-hexadecylamino]ethanol;dihydrofluoride
CID 166791794
4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol
CID 158988297

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(nonyl)amino]ethanol?
The IUPAC name of 2-[ethyl(nonyl)amino]ethanol (CID 62021397) is 2-[ethyl(nonyl)amino]ethanol.
What is the SMILES notation for 2-[ethyl(nonyl)amino]ethanol?
The canonical SMILES for 2-[ethyl(nonyl)amino]ethanol is CCCCCCCCCN(CC)CCO.
What is the InChIKey of 2-[ethyl(nonyl)amino]ethanol?
The InChIKey is KXQWKISDZZGQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-3-5-6-7-8-9-10-11-14(4-2)12-13-15/h15H,3-13H2,1-2H3.
What are the key properties of 2-[ethyl(nonyl)amino]ethanol?
2-[ethyl(nonyl)amino]ethanol has a molecular weight of 215.38 g/mol, XLogP of 3.05, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(nonyl)amino]ethanol is sourced from PubChem (CID 62021397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).