decan-4-amine;hydrochloride

C10H24ClN — CID 87728109

IUPACdecan-4-amine;hydrochloride
SMILESCCCCCCC(N)CCC.Cl
InChIInChI=1S/C10H23N.ClH/c1-3-5-6-7-9-10(11)8-4-2;/h10H,3-9,11H2,1-2H3;1H
InChIKeyUQXHHSGFZVIBNL-UHFFFAOYSA-N
MW193.76 g/mol
LogP3.51
Rot. Bonds7

About decan-4-amine;hydrochloride

decan-4-amine;hydrochloride (PubChem CID 87728109) has the molecular formula C10H24ClN and a molecular weight of 193.76 g/mol. Its IUPAC name is decan-4-amine;hydrochloride.

Molecular Properties

Compound Namedecan-4-amine;hydrochloride
PubChem CID87728109
Molecular FormulaC10H24ClN
Molecular Weight193.76 g/mol
Exact Mass193.16
IUPAC Namedecan-4-amine;hydrochloride
SMILESCCCCCCC(N)CCC.Cl
InChIInChI=1S/C10H23N.ClH/c1-3-5-6-7-9-10(11)8-4-2;/h10H,3-9,11H2,1-2H3;1H
InChIKeyUQXHHSGFZVIBNL-UHFFFAOYSA-N
XLogP3.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.76
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

nonan-4-amine;hydrochloride
CID 86176929
heptadecan-4-amine;hydrochloride
CID 173248342
(4R)-tridecan-4-amine
CID 150614684
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
icosane-5,10,16-triamine
CID 88870264
tritriactan-3-amine;hydrochloride
CID 173389490
tetradecane-3,11-diamine
CID 170279817
3-aminononan-1-ol;hydrochloride
CID 55255753
undecane-1,6-diamine
CID 18419788

Frequently Asked Questions

What is the IUPAC name of decan-4-amine;hydrochloride?
The IUPAC name of decan-4-amine;hydrochloride (CID 87728109) is decan-4-amine;hydrochloride.
What is the SMILES notation for decan-4-amine;hydrochloride?
The canonical SMILES for decan-4-amine;hydrochloride is CCCCCCC(N)CCC.Cl.
What is the InChIKey of decan-4-amine;hydrochloride?
The InChIKey is UQXHHSGFZVIBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.ClH/c1-3-5-6-7-9-10(11)8-4-2;/h10H,3-9,11H2,1-2H3;1H.
What are the key properties of decan-4-amine;hydrochloride?
decan-4-amine;hydrochloride has a molecular weight of 193.76 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decan-4-amine;hydrochloride is sourced from PubChem (CID 87728109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).