1-(decan-5-ylamino)ethanol

C12H27NO — CID 174223267

IUPAC1-(decan-5-ylamino)ethanol
SMILESCCCCCC(CCCC)NC(C)O
InChIInChI=1S/C12H27NO/c1-4-6-8-10-12(9-7-5-2)13-11(3)14/h11-14H,4-10H2,1-3H3
InChIKeyZKTKBQUGEJVICP-UHFFFAOYSA-N
MW201.35 g/mol
LogP3.05
Rot. Bonds9

About 1-(decan-5-ylamino)ethanol

1-(decan-5-ylamino)ethanol (PubChem CID 174223267) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 1-(decan-5-ylamino)ethanol.

Molecular Properties

Compound Name1-(decan-5-ylamino)ethanol
PubChem CID174223267
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name1-(decan-5-ylamino)ethanol
SMILESCCCCCC(CCCC)NC(C)O
InChIInChI=1S/C12H27NO/c1-4-6-8-10-12(9-7-5-2)13-11(3)14/h11-14H,4-10H2,1-3H3
InChIKeyZKTKBQUGEJVICP-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-yldodecan-5-amine
CID 79412905
N-propan-2-ylheptadecan-5-amine
CID 79412665
N-propan-2-yltridecan-5-amine
CID 79413155
1-(1-hydroxyethylamino)hexan-1-ol
CID 57293401
1-(pentadecan-2-ylamino)ethanol
CID 90985657
N-nonan-5-ylnonan-5-amine
CID 86205180
(2R)-2-(undecan-6-ylamino)propan-1-ol
CID 114987067
1-(nonan-2-ylamino)ethanol;hydrochloride
CID 175146567
N-(1-cyclopropylethyl)undecan-6-amine
CID 43776560
3-(1-hydroxyoctadecan-3-ylamino)octadecan-1-ol
CID 23169302
2-methylsulfanyl-3-(undecan-6-ylamino)butan-1-ol
CID 106159193
1-(octan-3-ylamino)hexan-1-ol
CID 155661048

Frequently Asked Questions

What is the IUPAC name of 1-(decan-5-ylamino)ethanol?
The IUPAC name of 1-(decan-5-ylamino)ethanol (CID 174223267) is 1-(decan-5-ylamino)ethanol.
What is the SMILES notation for 1-(decan-5-ylamino)ethanol?
The canonical SMILES for 1-(decan-5-ylamino)ethanol is CCCCCC(CCCC)NC(C)O.
What is the InChIKey of 1-(decan-5-ylamino)ethanol?
The InChIKey is ZKTKBQUGEJVICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-4-6-8-10-12(9-7-5-2)13-11(3)14/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-(decan-5-ylamino)ethanol?
1-(decan-5-ylamino)ethanol has a molecular weight of 201.35 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(decan-5-ylamino)ethanol is sourced from PubChem (CID 174223267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).