tridecan-3-amine

C13H29N — CID 19435959

IUPACtridecan-3-amine
SMILESCCCCCCCCCCC(N)CC
InChIInChI=1S/C13H29N/c1-3-5-6-7-8-9-10-11-12-13(14)4-2/h13H,3-12,14H2,1-2H3
InChIKeyQHYMETGGLBQAEX-UHFFFAOYSA-N
MW199.38 g/mol
LogP4.25
Rot. Bonds10

About tridecan-3-amine

tridecan-3-amine (PubChem CID 19435959) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is tridecan-3-amine.

Molecular Properties

Compound Nametridecan-3-amine
PubChem CID19435959
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Nametridecan-3-amine
SMILESCCCCCCCCCCC(N)CC
InChIInChI=1S/C13H29N/c1-3-5-6-7-8-9-10-11-12-13(14)4-2/h13H,3-12,14H2,1-2H3
InChIKeyQHYMETGGLBQAEX-UHFFFAOYSA-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

tritriactan-3-amine;hydrochloride
CID 173389490
tetradecan-3-amine;hydrobromide
CID 173393490
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
hexadecane-3,5-diamine
CID 175043722
acetic acid;decan-3-amine
CID 87798591
acetic acid;henicosan-3-amine
CID 174717408
tetradecane-3,11-diamine
CID 170279817
octadecan-9-amine;hydrochloride
CID 19002510
henicosane-8,14-diamine;dihydrochloride
CID 170909168
dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;octan-3-amine
CID 88665123
(4R)-tridecan-4-amine
CID 150614684

Frequently Asked Questions

What is the IUPAC name of tridecan-3-amine?
The IUPAC name of tridecan-3-amine (CID 19435959) is tridecan-3-amine.
What is the SMILES notation for tridecan-3-amine?
The canonical SMILES for tridecan-3-amine is CCCCCCCCCCC(N)CC.
What is the InChIKey of tridecan-3-amine?
The InChIKey is QHYMETGGLBQAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-3-5-6-7-8-9-10-11-12-13(14)4-2/h13H,3-12,14H2,1-2H3.
What are the key properties of tridecan-3-amine?
tridecan-3-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 tridecan-3-amine is sourced from PubChem (CID 19435959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).