3-heptyl-3-(trimethoxymethyl)tetradecane-1,14-diamine

C25H54N2O3 — CID 151262909

IUPAC3-heptyl-3-(trimethoxymethyl)tetradecane-1,14-diamine
SMILESCCCCCCCC(CCN)(CCCCCCCCCCCN)C(OC)(OC)OC
InChIInChI=1S/C25H54N2O3/c1-5-6-7-13-16-19-24(21-23-27,25(28-2,29-3)30-4)20-17-14-11-9-8-10-12-15-18-22-26/h5-23,26-27H2,1-4H3
InChIKeyNUSJYQZUDYMTTB-UHFFFAOYSA-N
MW430.72 g/mol
LogP6.13
Rot. Bonds23

About 3-heptyl-3-(trimethoxymethyl)tetradecane-1,14-diamine

3-heptyl-3-(trimethoxymethyl)tetradecane-1,14-diamine (PubChem CID 151262909) has the molecular formula C25H54N2O3 and a molecular weight of 430.72 g/mol. Its IUPAC name is 3-heptyl-3-(trimethoxymethyl)tetradecane-1,14-diamine.

Molecular Properties

Compound Name3-heptyl-3-(trimethoxymethyl)tetradecane-1,14-diamine
PubChem CID151262909
Molecular FormulaC25H54N2O3
Molecular Weight430.72 g/mol
Exact Mass430.41
IUPAC Name3-heptyl-3-(trimethoxymethyl)tetradecane-1,14-diamine
SMILESCCCCCCCC(CCN)(CCCCCCCCCCCN)C(OC)(OC)OC
InChIInChI=1S/C25H54N2O3/c1-5-6-7-13-16-19-24(21-23-27,25(28-2,29-3)30-4)20-17-14-11-9-8-10-12-15-18-22-26/h5-23,26-27H2,1-4H3
InChIKeyNUSJYQZUDYMTTB-UHFFFAOYSA-N
XLogP6.13
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.72
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-heptyl-3-(trimethoxymethyl)tetradecane-1,14-diamine?
The IUPAC name of 3-heptyl-3-(trimethoxymethyl)tetradecane-1,14-diamine (CID 151262909) is 3-heptyl-3-(trimethoxymethyl)tetradecane-1,14-diamine.
What is the SMILES notation for 3-heptyl-3-(trimethoxymethyl)tetradecane-1,14-diamine?
The canonical SMILES for 3-heptyl-3-(trimethoxymethyl)tetradecane-1,14-diamine is CCCCCCCC(CCN)(CCCCCCCCCCCN)C(OC)(OC)OC.
What is the InChIKey of 3-heptyl-3-(trimethoxymethyl)tetradecane-1,14-diamine?
The InChIKey is NUSJYQZUDYMTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54N2O3/c1-5-6-7-13-16-19-24(21-23-27,25(28-2,29-3)30-4)20-17-14-11-9-8-10-12-15-18-22-26/h5-23,26-27H2,1-4H3.
What are the key properties of 3-heptyl-3-(trimethoxymethyl)tetradecane-1,14-diamine?
3-heptyl-3-(trimethoxymethyl)tetradecane-1,14-diamine has a molecular weight of 430.72 g/mol, XLogP of 6.13, 23 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptyl-3-(trimethoxymethyl)tetradecane-1,14-diamine is sourced from PubChem (CID 151262909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).