nonan-4-amine;hydrochloride

C9H22ClN — CID 86176929

IUPACnonan-4-amine;hydrochloride
SMILESCCCCCC(N)CCC.Cl
InChIInChI=1S/C9H21N.ClH/c1-3-5-6-8-9(10)7-4-2;/h9H,3-8,10H2,1-2H3;1H
InChIKeyABOVDLOLWXXRLW-UHFFFAOYSA-N
MW179.73 g/mol
LogP3.12
Rot. Bonds6

About nonan-4-amine;hydrochloride

nonan-4-amine;hydrochloride (PubChem CID 86176929) has the molecular formula C9H22ClN and a molecular weight of 179.73 g/mol. Its IUPAC name is nonan-4-amine;hydrochloride.

Molecular Properties

Compound Namenonan-4-amine;hydrochloride
PubChem CID86176929
Molecular FormulaC9H22ClN
Molecular Weight179.73 g/mol
Exact Mass179.14
IUPAC Namenonan-4-amine;hydrochloride
SMILESCCCCCC(N)CCC.Cl
InChIInChI=1S/C9H21N.ClH/c1-3-5-6-8-9(10)7-4-2;/h9H,3-8,10H2,1-2H3;1H
InChIKeyABOVDLOLWXXRLW-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.73
LogP ≤ 53.12
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

heptadecan-4-amine;hydrochloride
CID 173248342
decan-4-amine;hydrochloride
CID 87728109
(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 nonan-4-amine;hydrochloride?
The IUPAC name of nonan-4-amine;hydrochloride (CID 86176929) is nonan-4-amine;hydrochloride.
What is the SMILES notation for nonan-4-amine;hydrochloride?
The canonical SMILES for nonan-4-amine;hydrochloride is CCCCCC(N)CCC.Cl.
What is the InChIKey of nonan-4-amine;hydrochloride?
The InChIKey is ABOVDLOLWXXRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.ClH/c1-3-5-6-8-9(10)7-4-2;/h9H,3-8,10H2,1-2H3;1H.
What are the key properties of nonan-4-amine;hydrochloride?
nonan-4-amine;hydrochloride has a molecular weight of 179.73 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonan-4-amine;hydrochloride is sourced from PubChem (CID 86176929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).