4-tetradecoxyhexane-1,3-diamine

C20H44N2O — CID 22385509

IUPAC4-tetradecoxyhexane-1,3-diamine
SMILESCCCCCCCCCCCCCCOC(CC)C(N)CCN
InChIInChI=1S/C20H44N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-23-20(4-2)19(22)16-17-21/h19-20H,3-18,21-22H2,1-2H3
InChIKeyXGTBUOVYTCENEQ-UHFFFAOYSA-N
MW328.59 g/mol
LogP5.16
Rot. Bonds18

About 4-tetradecoxyhexane-1,3-diamine

4-tetradecoxyhexane-1,3-diamine (PubChem CID 22385509) has the molecular formula C20H44N2O and a molecular weight of 328.59 g/mol. Its IUPAC name is 4-tetradecoxyhexane-1,3-diamine.

Molecular Properties

Compound Name4-tetradecoxyhexane-1,3-diamine
PubChem CID22385509
Molecular FormulaC20H44N2O
Molecular Weight328.59 g/mol
Exact Mass328.35
IUPAC Name4-tetradecoxyhexane-1,3-diamine
SMILESCCCCCCCCCCCCCCOC(CC)C(N)CCN
InChIInChI=1S/C20H44N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-23-20(4-2)19(22)16-17-21/h19-20H,3-18,21-22H2,1-2H3
InChIKeyXGTBUOVYTCENEQ-UHFFFAOYSA-N
XLogP5.16
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
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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Related Compounds

3-pentoxyhexadecan-1-amine
CID 153320725
2-octoxypentan-3-amine
CID 43127877
4,4-di(tetradecoxy)butan-1-amine
CID 87630255
4,4-dioctadecoxybutan-1-amine
CID 87498240
1-pentoxybutane-1,4-diamine
CID 141071878
octoxymethanediamine
CID 142625053
nonane-1,3,4-triamine
CID 140867802
1-tetradecoxypropan-1-amine;hydrobromide
CID 173193932
1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoxy]-3-octoxypentan-2-amine
CID 118483008
3-amino-1-pentoxypropan-1-ol;pentan-1-amine
CID 88847262
2-(2-methylnonan-3-yloxy)ethanamine
CID 150049308
3-amino-2-hexoxy-4-methoxybutan-1-ol
CID 114358118

Frequently Asked Questions

What is the IUPAC name of 4-tetradecoxyhexane-1,3-diamine?
The IUPAC name of 4-tetradecoxyhexane-1,3-diamine (CID 22385509) is 4-tetradecoxyhexane-1,3-diamine.
What is the SMILES notation for 4-tetradecoxyhexane-1,3-diamine?
The canonical SMILES for 4-tetradecoxyhexane-1,3-diamine is CCCCCCCCCCCCCCOC(CC)C(N)CCN.
What is the InChIKey of 4-tetradecoxyhexane-1,3-diamine?
The InChIKey is XGTBUOVYTCENEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-23-20(4-2)19(22)16-17-21/h19-20H,3-18,21-22H2,1-2H3.
What are the key properties of 4-tetradecoxyhexane-1,3-diamine?
4-tetradecoxyhexane-1,3-diamine has a molecular weight of 328.59 g/mol, XLogP of 5.16, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tetradecoxyhexane-1,3-diamine is sourced from PubChem (CID 22385509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).