N-ethyl-6-propyltridecan-6-amine

C18H39N — CID 598525

IUPACN-ethyl-6-propyltridecan-6-amine
SMILESCCCCCCCC(CCC)(CCCCC)NCC
InChIInChI=1S/C18H39N/c1-5-9-11-12-14-17-18(15-7-3,19-8-4)16-13-10-6-2/h19H,5-17H2,1-4H3
InChIKeyWQPLCXDONUXWCS-UHFFFAOYSA-N
MW269.52 g/mol
LogP6.08
Rot. Bonds14

About N-ethyl-6-propyltridecan-6-amine

N-ethyl-6-propyltridecan-6-amine (PubChem CID 598525) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is N-ethyl-6-propyltridecan-6-amine.

Molecular Properties

Compound NameN-ethyl-6-propyltridecan-6-amine
PubChem CID598525
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC NameN-ethyl-6-propyltridecan-6-amine
SMILESCCCCCCCC(CCC)(CCCCC)NCC
InChIInChI=1S/C18H39N/c1-5-9-11-12-14-17-18(15-7-3,19-8-4)16-13-10-6-2/h19H,5-17H2,1-4H3
InChIKeyWQPLCXDONUXWCS-UHFFFAOYSA-N
XLogP6.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 56.08
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-propyltridecan-6-amine?
The IUPAC name of N-ethyl-6-propyltridecan-6-amine (CID 598525) is N-ethyl-6-propyltridecan-6-amine.
What is the SMILES notation for N-ethyl-6-propyltridecan-6-amine?
The canonical SMILES for N-ethyl-6-propyltridecan-6-amine is CCCCCCCC(CCC)(CCCCC)NCC.
What is the InChIKey of N-ethyl-6-propyltridecan-6-amine?
The InChIKey is WQPLCXDONUXWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N/c1-5-9-11-12-14-17-18(15-7-3,19-8-4)16-13-10-6-2/h19H,5-17H2,1-4H3.
What are the key properties of N-ethyl-6-propyltridecan-6-amine?
N-ethyl-6-propyltridecan-6-amine has a molecular weight of 269.52 g/mol, XLogP of 6.08, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-propyltridecan-6-amine is sourced from PubChem (CID 598525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).