tridecane-2,3-diamine

C13H30N2 — CID 19427438

IUPACtridecane-2,3-diamine
SMILESCCCCCCCCCCC(N)C(C)N
InChIInChI=1S/C13H30N2/c1-3-4-5-6-7-8-9-10-11-13(15)12(2)14/h12-13H,3-11,14-15H2,1-2H3
InChIKeyMHYBURLYWPSDAS-UHFFFAOYSA-N
MW214.40 g/mol
LogP3.19
Rot. Bonds10

About tridecane-2,3-diamine

tridecane-2,3-diamine (PubChem CID 19427438) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is tridecane-2,3-diamine.

Molecular Properties

Compound Nametridecane-2,3-diamine
PubChem CID19427438
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Nametridecane-2,3-diamine
SMILESCCCCCCCCCCC(N)C(C)N
InChIInChI=1S/C13H30N2/c1-3-4-5-6-7-8-9-10-11-13(15)12(2)14/h12-13H,3-11,14-15H2,1-2H3
InChIKeyMHYBURLYWPSDAS-UHFFFAOYSA-N
XLogP3.19
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 8143
CID 8143
CID 5603
CID 5603
CID 24250
CID 24250
CID 1317
CID 1317
CID 8916
CID 8916
CID 16217
CID 16217
CID 13583
CID 13583
CID 16215
CID 16215
CID 17727
CID 17727
CID 40761
CID 40761
CID 12735
CID 12735
CID 81742
CID 81742

Frequently Asked Questions

What is the IUPAC name of tridecane-2,3-diamine?
The IUPAC name of tridecane-2,3-diamine (CID 19427438) is tridecane-2,3-diamine.
What is the SMILES notation for tridecane-2,3-diamine?
The canonical SMILES for tridecane-2,3-diamine is CCCCCCCCCCC(N)C(C)N.
What is the InChIKey of tridecane-2,3-diamine?
The InChIKey is MHYBURLYWPSDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-3-4-5-6-7-8-9-10-11-13(15)12(2)14/h12-13H,3-11,14-15H2,1-2H3.
What are the key properties of tridecane-2,3-diamine?
tridecane-2,3-diamine has a molecular weight of 214.40 g/mol, XLogP of 3.19, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tridecane-2,3-diamine is sourced from PubChem (CID 19427438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).