6-tetradecoxyhexane-1,3-diamine

C20H44N2O — CID 18372194

IUPAC6-tetradecoxyhexane-1,3-diamine
SMILESCCCCCCCCCCCCCCOCCCC(N)CCN
InChIInChI=1S/C20H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-23-19-14-15-20(22)16-17-21/h20H,2-19,21-22H2,1H3
InChIKeyXMAZQTCSWFSXBK-UHFFFAOYSA-N
MW328.59 g/mol
LogP5.16
Rot. Bonds19

About 6-tetradecoxyhexane-1,3-diamine

6-tetradecoxyhexane-1,3-diamine (PubChem CID 18372194) has the molecular formula C20H44N2O and a molecular weight of 328.59 g/mol. Its IUPAC name is 6-tetradecoxyhexane-1,3-diamine.

Molecular Properties

Compound Name6-tetradecoxyhexane-1,3-diamine
PubChem CID18372194
Molecular FormulaC20H44N2O
Molecular Weight328.59 g/mol
Exact Mass328.35
IUPAC Name6-tetradecoxyhexane-1,3-diamine
SMILESCCCCCCCCCCCCCCOCCCC(N)CCN
InChIInChI=1S/C20H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-23-19-14-15-20(22)16-17-21/h20H,2-19,21-22H2,1H3
InChIKeyXMAZQTCSWFSXBK-UHFFFAOYSA-N
XLogP5.16
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.59
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-tetradecoxyhexane-1,3-diamine?
The IUPAC name of 6-tetradecoxyhexane-1,3-diamine (CID 18372194) is 6-tetradecoxyhexane-1,3-diamine.
What is the SMILES notation for 6-tetradecoxyhexane-1,3-diamine?
The canonical SMILES for 6-tetradecoxyhexane-1,3-diamine is CCCCCCCCCCCCCCOCCCC(N)CCN.
What is the InChIKey of 6-tetradecoxyhexane-1,3-diamine?
The InChIKey is XMAZQTCSWFSXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-23-19-14-15-20(22)16-17-21/h20H,2-19,21-22H2,1H3.
What are the key properties of 6-tetradecoxyhexane-1,3-diamine?
6-tetradecoxyhexane-1,3-diamine has a molecular weight of 328.59 g/mol, XLogP of 5.16, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tetradecoxyhexane-1,3-diamine is sourced from PubChem (CID 18372194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).