(2S)-tridecan-2-amine

C13H29N — CID 24884182

IUPAC(2S)-tridecan-2-amine
SMILESCCCCCCCCCCC[C@H](C)N
InChIInChI=1S/C13H29N/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h13H,3-12,14H2,1-2H3/t13-/m0/s1
InChIKeyWCLHZVGJULAEJH-ZDUSSCGKSA-N
MW199.38 g/mol
LogP4.25
Rot. Bonds10

About (2S)-tridecan-2-amine

(2S)-tridecan-2-amine (PubChem CID 24884182) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is (2S)-tridecan-2-amine.

Molecular Properties

Compound Name(2S)-tridecan-2-amine
PubChem CID24884182
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name(2S)-tridecan-2-amine
SMILESCCCCCCCCCCC[C@H](C)N
InChIInChI=1S/C13H29N/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h13H,3-12,14H2,1-2H3/t13-/m0/s1
InChIKeyWCLHZVGJULAEJH-ZDUSSCGKSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 54.25
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)-nonadecan-2-amine
CID 94864909
tetradecan-2-amine;hydrobromide
CID 175070931
dodecan-2-amine;hydrochloride
CID 86195878
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
propanoic acid;tetradecan-2-amine
CID 173174901
11,11-difluorooctadecan-2-amine
CID 150665400

Frequently Asked Questions

What is the IUPAC name of (2S)-tridecan-2-amine?
The IUPAC name of (2S)-tridecan-2-amine (CID 24884182) is (2S)-tridecan-2-amine.
What is the SMILES notation for (2S)-tridecan-2-amine?
The canonical SMILES for (2S)-tridecan-2-amine is CCCCCCCCCCC[C@H](C)N.
What is the InChIKey of (2S)-tridecan-2-amine?
The InChIKey is WCLHZVGJULAEJH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H29N/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h13H,3-12,14H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-tridecan-2-amine?
(2S)-tridecan-2-amine has a molecular weight of 199.38 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-tridecan-2-amine is sourced from PubChem (CID 24884182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).