decan-1-amine;dihydrochloride

C10H25Cl2N — CID 172731620

IUPACdecan-1-amine;dihydrochloride
SMILESCCCCCCCCCCN.Cl.Cl
InChIInChI=1S/C10H23N.2ClH/c1-2-3-4-5-6-7-8-9-10-11;;/h2-11H2,1H3;2*1H
InChIKeyHWHLCGDIFNMQHO-UHFFFAOYSA-N
MW230.22 g/mol
LogP3.93
Rot. Bonds8

About decan-1-amine;dihydrochloride

decan-1-amine;dihydrochloride (PubChem CID 172731620) has the molecular formula C10H25Cl2N and a molecular weight of 230.22 g/mol. Its IUPAC name is decan-1-amine;dihydrochloride.

Molecular Properties

Compound Namedecan-1-amine;dihydrochloride
PubChem CID172731620
Molecular FormulaC10H25Cl2N
Molecular Weight230.22 g/mol
Exact Mass229.14
IUPAC Namedecan-1-amine;dihydrochloride
SMILESCCCCCCCCCCN.Cl.Cl
InChIInChI=1S/C10H23N.2ClH/c1-2-3-4-5-6-7-8-9-10-11;;/h2-11H2,1H3;2*1H
InChIKeyHWHLCGDIFNMQHO-UHFFFAOYSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 53.93
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

octadecan-1-amine;trihydrochloride
CID 175177898
tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
tripotassium;hydride;octadecan-1-amine;hydrochloride
CID 174410869
methanamine;tridecan-1-amine
CID 22649914
hexan-1-amine;dihydrate
CID 174459608
copper;hexan-1-amine
CID 87269039
nonan-1-amine;dihydrate
CID 174770026
pentadecan-1-amine;hydrobromide
CID 173087623

Frequently Asked Questions

What is the IUPAC name of decan-1-amine;dihydrochloride?
The IUPAC name of decan-1-amine;dihydrochloride (CID 172731620) is decan-1-amine;dihydrochloride.
What is the SMILES notation for decan-1-amine;dihydrochloride?
The canonical SMILES for decan-1-amine;dihydrochloride is CCCCCCCCCCN.Cl.Cl.
What is the InChIKey of decan-1-amine;dihydrochloride?
The InChIKey is HWHLCGDIFNMQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.2ClH/c1-2-3-4-5-6-7-8-9-10-11;;/h2-11H2,1H3;2*1H.
What are the key properties of decan-1-amine;dihydrochloride?
decan-1-amine;dihydrochloride has a molecular weight of 230.22 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decan-1-amine;dihydrochloride is sourced from PubChem (CID 172731620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).