(4R)-tridecan-4-amine

C13H29N — CID 150614684

IUPAC(4R)-tridecan-4-amine
SMILESCCCCCCCCC[C@H](N)CCC
InChIInChI=1S/C13H29N/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h13H,3-12,14H2,1-2H3/t13-/m1/s1
InChIKeyIUQGZYGLKCXJNY-CYBMUJFWSA-N
MW199.38 g/mol
LogP4.25
Rot. Bonds10

About (4R)-tridecan-4-amine

(4R)-tridecan-4-amine (PubChem CID 150614684) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is (4R)-tridecan-4-amine.

Molecular Properties

Compound Name(4R)-tridecan-4-amine
PubChem CID150614684
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name(4R)-tridecan-4-amine
SMILESCCCCCCCCC[C@H](N)CCC
InChIInChI=1S/C13H29N/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h13H,3-12,14H2,1-2H3/t13-/m1/s1
InChIKeyIUQGZYGLKCXJNY-CYBMUJFWSA-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

nonan-4-amine;hydrochloride
CID 86176929
heptadecan-4-amine;hydrochloride
CID 173248342
decan-4-amine;hydrochloride
CID 87728109
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510
icosane-5,10,16-triamine
CID 88870264
tetradecane-3,11-diamine
CID 170279817
N-deuteriohexadecan-4-amine
CID 175983839
nonadecane-1,13-diamine
CID 102135569
octadecane-1,5-diamine
CID 154229011

Frequently Asked Questions

What is the IUPAC name of (4R)-tridecan-4-amine?
The IUPAC name of (4R)-tridecan-4-amine (CID 150614684) is (4R)-tridecan-4-amine.
What is the SMILES notation for (4R)-tridecan-4-amine?
The canonical SMILES for (4R)-tridecan-4-amine is CCCCCCCCC[C@H](N)CCC.
What is the InChIKey of (4R)-tridecan-4-amine?
The InChIKey is IUQGZYGLKCXJNY-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H29N/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h13H,3-12,14H2,1-2H3/t13-/m1/s1.
What are the key properties of (4R)-tridecan-4-amine?
(4R)-tridecan-4-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 (4R)-tridecan-4-amine is sourced from PubChem (CID 150614684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).