dodecan-2-amine;hydrochloride

C12H28ClN — CID 86195878

IUPACdodecan-2-amine;hydrochloride
SMILESCCCCCCCCCCC(C)N.Cl
InChIInChI=1S/C12H27N.ClH/c1-3-4-5-6-7-8-9-10-11-12(2)13;/h12H,3-11,13H2,1-2H3;1H
InChIKeyDVGQDWICISAVKG-UHFFFAOYSA-N
MW221.82 g/mol
LogP4.29
Rot. Bonds9

About dodecan-2-amine;hydrochloride

dodecan-2-amine;hydrochloride (PubChem CID 86195878) has the molecular formula C12H28ClN and a molecular weight of 221.82 g/mol. Its IUPAC name is dodecan-2-amine;hydrochloride.

Molecular Properties

Compound Namedodecan-2-amine;hydrochloride
PubChem CID86195878
Molecular FormulaC12H28ClN
Molecular Weight221.82 g/mol
Exact Mass221.19
IUPAC Namedodecan-2-amine;hydrochloride
SMILESCCCCCCCCCCC(C)N.Cl
InChIInChI=1S/C12H27N.ClH/c1-3-4-5-6-7-8-9-10-11-12(2)13;/h12H,3-11,13H2,1-2H3;1H
InChIKeyDVGQDWICISAVKG-UHFFFAOYSA-N
XLogP4.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.82
LogP ≤ 54.29
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

(2S)-tetradecan-2-amine
CID 25021238
(2S)-tridecan-2-amine
CID 24884182
(2S)-nonadecan-2-amine
CID 94864909
tetradecan-2-amine;hydrobromide
CID 175070931
nonadecane-2,14-diamine
CID 89095951
dodecan-1-amine;dodecan-2-amine
CID 88815564
6-methylnonadecan-2-amine
CID 54497673
docosane-2,21-diamine
CID 150079956
9-methoxypentadecan-2-amine
CID 89335213
carbamic acid;undecan-2-amine
CID 175209089
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510

Frequently Asked Questions

What is the IUPAC name of dodecan-2-amine;hydrochloride?
The IUPAC name of dodecan-2-amine;hydrochloride (CID 86195878) is dodecan-2-amine;hydrochloride.
What is the SMILES notation for dodecan-2-amine;hydrochloride?
The canonical SMILES for dodecan-2-amine;hydrochloride is CCCCCCCCCCC(C)N.Cl.
What is the InChIKey of dodecan-2-amine;hydrochloride?
The InChIKey is DVGQDWICISAVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.ClH/c1-3-4-5-6-7-8-9-10-11-12(2)13;/h12H,3-11,13H2,1-2H3;1H.
What are the key properties of dodecan-2-amine;hydrochloride?
dodecan-2-amine;hydrochloride has a molecular weight of 221.82 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-2-amine;hydrochloride is sourced from PubChem (CID 86195878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).