4-amino-5-propyloctan-4-ol;hydrochloride

C11H26ClNO — CID 173241712

IUPAC4-amino-5-propyloctan-4-ol;hydrochloride
SMILESCCCC(CCC)C(N)(O)CCC.Cl
InChIInChI=1S/C11H25NO.ClH/c1-4-7-10(8-5-2)11(12,13)9-6-3;/h10,13H,4-9,12H2,1-3H3;1H
InChIKeyNEPQHBYACJFBKW-UHFFFAOYSA-N
MW223.79 g/mol
LogP3.07
Rot. Bonds7

About 4-amino-5-propyloctan-4-ol;hydrochloride

4-amino-5-propyloctan-4-ol;hydrochloride (PubChem CID 173241712) has the molecular formula C11H26ClNO and a molecular weight of 223.79 g/mol. Its IUPAC name is 4-amino-5-propyloctan-4-ol;hydrochloride.

Molecular Properties

Compound Name4-amino-5-propyloctan-4-ol;hydrochloride
PubChem CID173241712
Molecular FormulaC11H26ClNO
Molecular Weight223.79 g/mol
Exact Mass223.17
IUPAC Name4-amino-5-propyloctan-4-ol;hydrochloride
SMILESCCCC(CCC)C(N)(O)CCC.Cl
InChIInChI=1S/C11H25NO.ClH/c1-4-7-10(8-5-2)11(12,13)9-6-3;/h10,13H,4-9,12H2,1-3H3;1H
InChIKeyNEPQHBYACJFBKW-UHFFFAOYSA-N
XLogP3.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.79
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-propyloctan-4-ol
CID 18625026
3-aminohexane-2,3-diol
CID 87595978
11-amino-10,11-dipropyltetradecane-1-thiol;hydrochloride
CID 173480260
4,5-dipropylpentadecan-4-amine;hydrobromide
CID 175052572
5-ethyl-4-propyloctan-4-amine;prop-2-enoic acid
CID 173151143
5-propyldecane-4,4-diol
CID 156789084
4,5-diaminodecan-5-ol
CID 155745471
4-(aminomethyl)-3-ethylheptan-3-ol
CID 79416340
4-(aminomethyl)-5-methylnonan-5-ol
CID 165443396
butane-1,1,1-triol;hydrochloride
CID 140976874
3-amino-2,4-bis(hydroxymethyl)-3-propylpentane-1,5-diol
CID 22382378
4-ethylheptane-3,3-diamine
CID 87457758

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-propyloctan-4-ol;hydrochloride?
The IUPAC name of 4-amino-5-propyloctan-4-ol;hydrochloride (CID 173241712) is 4-amino-5-propyloctan-4-ol;hydrochloride.
What is the SMILES notation for 4-amino-5-propyloctan-4-ol;hydrochloride?
The canonical SMILES for 4-amino-5-propyloctan-4-ol;hydrochloride is CCCC(CCC)C(N)(O)CCC.Cl.
What is the InChIKey of 4-amino-5-propyloctan-4-ol;hydrochloride?
The InChIKey is NEPQHBYACJFBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO.ClH/c1-4-7-10(8-5-2)11(12,13)9-6-3;/h10,13H,4-9,12H2,1-3H3;1H.
What are the key properties of 4-amino-5-propyloctan-4-ol;hydrochloride?
4-amino-5-propyloctan-4-ol;hydrochloride has a molecular weight of 223.79 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-propyloctan-4-ol;hydrochloride is sourced from PubChem (CID 173241712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).