N,N-diethyltridecan-4-amine

C17H37N — CID 159822270

IUPACN,N-diethyltridecan-4-amine
SMILESCCCCCCCCCC(CCC)N(CC)CC
InChIInChI=1S/C17H37N/c1-5-9-10-11-12-13-14-16-17(15-6-2)18(7-3)8-4/h17H,5-16H2,1-4H3
InChIKeyNMJUMTZOPQHXLN-UHFFFAOYSA-N
MW255.49 g/mol
LogP5.64
Rot. Bonds13

About N,N-diethyltridecan-4-amine

N,N-diethyltridecan-4-amine (PubChem CID 159822270) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is N,N-diethyltridecan-4-amine.

Molecular Properties

Compound NameN,N-diethyltridecan-4-amine
PubChem CID159822270
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC NameN,N-diethyltridecan-4-amine
SMILESCCCCCCCCCC(CCC)N(CC)CC
InChIInChI=1S/C17H37N/c1-5-9-10-11-12-13-14-16-17(15-6-2)18(7-3)8-4/h17H,5-16H2,1-4H3
InChIKeyNMJUMTZOPQHXLN-UHFFFAOYSA-N
XLogP5.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.49
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibutyltridecan-4-amine
CID 139649762
2-N,2-N-diethyloctadecane-1,2-diamine
CID 142627498
N,N-dibutyldocosan-4-amine;hydrochloride
CID 88809757
2-[decan-4-yl(2-hydroxyethyl)amino]ethanol
CID 169095504
N,N-dihydroxynonan-4-amine
CID 139703467
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230
N'-(3-aminopropyl)-N'-tetratriacontan-16-ylpropane-1,3-diamine
CID 88511358
6-iodododecane
CID 19090932
7-iodotetradecane
CID 87229248
2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine
CID 43273520
N,N-dimethylicosan-7-amine;hydrobromide
CID 173410689

Frequently Asked Questions

What is the IUPAC name of N,N-diethyltridecan-4-amine?
The IUPAC name of N,N-diethyltridecan-4-amine (CID 159822270) is N,N-diethyltridecan-4-amine.
What is the SMILES notation for N,N-diethyltridecan-4-amine?
The canonical SMILES for N,N-diethyltridecan-4-amine is CCCCCCCCCC(CCC)N(CC)CC.
What is the InChIKey of N,N-diethyltridecan-4-amine?
The InChIKey is NMJUMTZOPQHXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N/c1-5-9-10-11-12-13-14-16-17(15-6-2)18(7-3)8-4/h17H,5-16H2,1-4H3.
What are the key properties of N,N-diethyltridecan-4-amine?
N,N-diethyltridecan-4-amine has a molecular weight of 255.49 g/mol, XLogP of 5.64, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyltridecan-4-amine is sourced from PubChem (CID 159822270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).