4-(2-aminopropan-2-yl)-5-chlorodecan-1-ol;hydrochloride

C13H29Cl2NO — CID 173139694

IUPAC4-(2-aminopropan-2-yl)-5-chlorodecan-1-ol;hydrochloride
SMILESCCCCCC(Cl)C(CCCO)C(C)(C)N.Cl
InChIInChI=1S/C13H28ClNO.ClH/c1-4-5-6-9-12(14)11(8-7-10-16)13(2,3)15;/h11-12,16H,4-10,15H2,1-3H3;1H
InChIKeyLFLXPXCHJAUJKI-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.72
Rot. Bonds9

About 4-(2-aminopropan-2-yl)-5-chlorodecan-1-ol;hydrochloride

4-(2-aminopropan-2-yl)-5-chlorodecan-1-ol;hydrochloride (PubChem CID 173139694) has the molecular formula C13H29Cl2NO and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-(2-aminopropan-2-yl)-5-chlorodecan-1-ol;hydrochloride.

Molecular Properties

Compound Name4-(2-aminopropan-2-yl)-5-chlorodecan-1-ol;hydrochloride
PubChem CID173139694
Molecular FormulaC13H29Cl2NO
Molecular Weight286.29 g/mol
Exact Mass285.16
IUPAC Name4-(2-aminopropan-2-yl)-5-chlorodecan-1-ol;hydrochloride
SMILESCCCCCC(Cl)C(CCCO)C(C)(C)N.Cl
InChIInChI=1S/C13H28ClNO.ClH/c1-4-5-6-9-12(14)11(8-7-10-16)13(2,3)15;/h11-12,16H,4-10,15H2,1-3H3;1H
InChIKeyLFLXPXCHJAUJKI-UHFFFAOYSA-N
XLogP3.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminopropan-2-yl)tridecan-2-ol;hydrochloride
CID 175072736
3-(2-aminopropan-2-yl)nonan-2-ol
CID 87504447
butan-1-ol;1,1-dichloroheptane
CID 88631006
4-hexyldodecan-1-ol
CID 23212981
4-heptadecylheptane-1,7-diol
CID 54374368
3-chloro-2-methyltetradecane
CID 63459285
(4S)-undecane-1,4-diol
CID 98092447
3-hexyl-2-methylundecan-2-amine
CID 89005835
3-(1-chloroethyl)-2,2-dimethyltetradecane
CID 57214058
ethyl 2-(3-hydroxypropyl)octanoate
CID 57193425
3,3,5-trichloro-4-ethylundecane
CID 160631730
5-(2-aminopropan-2-yl)-2,4-dimethylundec-1-en-3-one
CID 21279920

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropan-2-yl)-5-chlorodecan-1-ol;hydrochloride?
The IUPAC name of 4-(2-aminopropan-2-yl)-5-chlorodecan-1-ol;hydrochloride (CID 173139694) is 4-(2-aminopropan-2-yl)-5-chlorodecan-1-ol;hydrochloride.
What is the SMILES notation for 4-(2-aminopropan-2-yl)-5-chlorodecan-1-ol;hydrochloride?
The canonical SMILES for 4-(2-aminopropan-2-yl)-5-chlorodecan-1-ol;hydrochloride is CCCCCC(Cl)C(CCCO)C(C)(C)N.Cl.
What is the InChIKey of 4-(2-aminopropan-2-yl)-5-chlorodecan-1-ol;hydrochloride?
The InChIKey is LFLXPXCHJAUJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28ClNO.ClH/c1-4-5-6-9-12(14)11(8-7-10-16)13(2,3)15;/h11-12,16H,4-10,15H2,1-3H3;1H.
What are the key properties of 4-(2-aminopropan-2-yl)-5-chlorodecan-1-ol;hydrochloride?
4-(2-aminopropan-2-yl)-5-chlorodecan-1-ol;hydrochloride has a molecular weight of 286.29 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropan-2-yl)-5-chlorodecan-1-ol;hydrochloride is sourced from PubChem (CID 173139694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).