1-(nonan-2-ylamino)ethanol;hydrochloride

C11H26ClNO — CID 175146567

IUPAC1-(nonan-2-ylamino)ethanol;hydrochloride
SMILESCCCCCCCC(C)NC(C)O.Cl
InChIInChI=1S/C11H25NO.ClH/c1-4-5-6-7-8-9-10(2)12-11(3)13;/h10-13H,4-9H2,1-3H3;1H
InChIKeyLHPPGLCBIFONLB-UHFFFAOYSA-N
MW223.79 g/mol
LogP3.09
Rot. Bonds8

About 1-(nonan-2-ylamino)ethanol;hydrochloride

1-(nonan-2-ylamino)ethanol;hydrochloride (PubChem CID 175146567) has the molecular formula C11H26ClNO and a molecular weight of 223.79 g/mol. Its IUPAC name is 1-(nonan-2-ylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name1-(nonan-2-ylamino)ethanol;hydrochloride
PubChem CID175146567
Molecular FormulaC11H26ClNO
Molecular Weight223.79 g/mol
Exact Mass223.17
IUPAC Name1-(nonan-2-ylamino)ethanol;hydrochloride
SMILESCCCCCCCC(C)NC(C)O.Cl
InChIInChI=1S/C11H25NO.ClH/c1-4-5-6-7-8-9-10(2)12-11(3)13;/h10-13H,4-9H2,1-3H3;1H
InChIKeyLHPPGLCBIFONLB-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.79
LogP ≤ 53.09
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

1-(pentadecan-2-ylamino)ethanol
CID 90985657
N-tetradecan-2-yltetradecan-2-amine
CID 20841578
N-hexadecan-2-ylhydroxylamine
CID 54390562
2-(nonadecan-2-ylamino)propan-1-ol
CID 3020463
1-(heptan-2-ylamino)butan-1-ol
CID 155661002
1-(1-hydroxyethylamino)hexan-1-ol
CID 57293401
(2R)-2-(heptan-2-ylamino)propan-1-ol
CID 114986918
1-(decan-5-ylamino)ethanol
CID 174223267
(2S)-N-butan-2-ylheptan-2-amine
CID 163467139
azane;tetradecan-2-ol
CID 172733454
2-(nonan-2-ylamino)propanoic acid
CID 61499682
(2S)-3-methyl-2-(nonan-2-ylamino)butan-1-ol
CID 79253877

Frequently Asked Questions

What is the IUPAC name of 1-(nonan-2-ylamino)ethanol;hydrochloride?
The IUPAC name of 1-(nonan-2-ylamino)ethanol;hydrochloride (CID 175146567) is 1-(nonan-2-ylamino)ethanol;hydrochloride.
What is the SMILES notation for 1-(nonan-2-ylamino)ethanol;hydrochloride?
The canonical SMILES for 1-(nonan-2-ylamino)ethanol;hydrochloride is CCCCCCCC(C)NC(C)O.Cl.
What is the InChIKey of 1-(nonan-2-ylamino)ethanol;hydrochloride?
The InChIKey is LHPPGLCBIFONLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO.ClH/c1-4-5-6-7-8-9-10(2)12-11(3)13;/h10-13H,4-9H2,1-3H3;1H.
What are the key properties of 1-(nonan-2-ylamino)ethanol;hydrochloride?
1-(nonan-2-ylamino)ethanol;hydrochloride has a molecular weight of 223.79 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(nonan-2-ylamino)ethanol;hydrochloride is sourced from PubChem (CID 175146567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).