N-ethyl-6-propyldodecan-6-amine

C17H37N — CID 598514

IUPACN-ethyl-6-propyldodecan-6-amine
SMILESCCCCCCC(CCC)(CCCCC)NCC
InChIInChI=1S/C17H37N/c1-5-9-11-13-16-17(14-7-3,18-8-4)15-12-10-6-2/h18H,5-16H2,1-4H3
InChIKeyHNEDSTWZSWCRBA-UHFFFAOYSA-N
MW255.49 g/mol
LogP5.69
Rot. Bonds13

About N-ethyl-6-propyldodecan-6-amine

N-ethyl-6-propyldodecan-6-amine (PubChem CID 598514) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is N-ethyl-6-propyldodecan-6-amine.

Molecular Properties

Compound NameN-ethyl-6-propyldodecan-6-amine
PubChem CID598514
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC NameN-ethyl-6-propyldodecan-6-amine
SMILESCCCCCCC(CCC)(CCCCC)NCC
InChIInChI=1S/C17H37N/c1-5-9-11-13-16-17(14-7-3,18-8-4)15-12-10-6-2/h18H,5-16H2,1-4H3
InChIKeyHNEDSTWZSWCRBA-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.49
LogP ≤ 55.69
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-propyldodecan-6-amine?
The IUPAC name of N-ethyl-6-propyldodecan-6-amine (CID 598514) is N-ethyl-6-propyldodecan-6-amine.
What is the SMILES notation for N-ethyl-6-propyldodecan-6-amine?
The canonical SMILES for N-ethyl-6-propyldodecan-6-amine is CCCCCCC(CCC)(CCCCC)NCC.
What is the InChIKey of N-ethyl-6-propyldodecan-6-amine?
The InChIKey is HNEDSTWZSWCRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N/c1-5-9-11-13-16-17(14-7-3,18-8-4)15-12-10-6-2/h18H,5-16H2,1-4H3.
What are the key properties of N-ethyl-6-propyldodecan-6-amine?
N-ethyl-6-propyldodecan-6-amine has a molecular weight of 255.49 g/mol, XLogP of 5.69, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-propyldodecan-6-amine is sourced from PubChem (CID 598514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).