12-ethoxydodecan-1-amine

C14H31NO — CID 3085904

IUPAC12-ethoxydodecan-1-amine
SMILESCCOCCCCCCCCCCCCN
InChIInChI=1S/C14H31NO/c1-2-16-14-12-10-8-6-4-3-5-7-9-11-13-15/h2-15H2,1H3
InChIKeyCPDAIPKBTBUVDV-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.88
Rot. Bonds13

About 12-ethoxydodecan-1-amine

12-ethoxydodecan-1-amine (PubChem CID 3085904) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 12-ethoxydodecan-1-amine.

Molecular Properties

Compound Name12-ethoxydodecan-1-amine
PubChem CID3085904
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name12-ethoxydodecan-1-amine
SMILESCCOCCCCCCCCCCCCN
InChIInChI=1S/C14H31NO/c1-2-16-14-12-10-8-6-4-3-5-7-9-11-13-15/h2-15H2,1H3
InChIKeyCPDAIPKBTBUVDV-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 12-ethoxydodecan-1-amine?
The IUPAC name of 12-ethoxydodecan-1-amine (CID 3085904) is 12-ethoxydodecan-1-amine.
What is the SMILES notation for 12-ethoxydodecan-1-amine?
The canonical SMILES for 12-ethoxydodecan-1-amine is CCOCCCCCCCCCCCCN.
What is the InChIKey of 12-ethoxydodecan-1-amine?
The InChIKey is CPDAIPKBTBUVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-2-16-14-12-10-8-6-4-3-5-7-9-11-13-15/h2-15H2,1H3.
What are the key properties of 12-ethoxydodecan-1-amine?
12-ethoxydodecan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.88, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethoxydodecan-1-amine is sourced from PubChem (CID 3085904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).