7-(triethoxymethyl)pentadecan-1-amine

C22H47NO3 — CID 150888831

IUPAC7-(triethoxymethyl)pentadecan-1-amine
SMILESCCCCCCCCC(CCCCCCN)C(OCC)(OCC)OCC
InChIInChI=1S/C22H47NO3/c1-5-9-10-11-12-15-18-21(19-16-13-14-17-20-23)22(24-6-2,25-7-3)26-8-4/h21H,5-20,23H2,1-4H3
InChIKeyKXPDOOXUFZFWFG-UHFFFAOYSA-N
MW373.62 g/mol
LogP6.03
Rot. Bonds20

About 7-(triethoxymethyl)pentadecan-1-amine

7-(triethoxymethyl)pentadecan-1-amine (PubChem CID 150888831) has the molecular formula C22H47NO3 and a molecular weight of 373.62 g/mol. Its IUPAC name is 7-(triethoxymethyl)pentadecan-1-amine.

Molecular Properties

Compound Name7-(triethoxymethyl)pentadecan-1-amine
PubChem CID150888831
Molecular FormulaC22H47NO3
Molecular Weight373.62 g/mol
Exact Mass373.36
IUPAC Name7-(triethoxymethyl)pentadecan-1-amine
SMILESCCCCCCCCC(CCCCCCN)C(OCC)(OCC)OCC
InChIInChI=1S/C22H47NO3/c1-5-9-10-11-12-15-18-21(19-16-13-14-17-20-23)22(24-6-2,25-7-3)26-8-4/h21H,5-20,23H2,1-4H3
InChIKeyKXPDOOXUFZFWFG-UHFFFAOYSA-N
XLogP6.03
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.62
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(4R)-1-chloro-4-(triethoxymethyl)dodecane
CID 150029732
1,1-difluoro-4-(triethoxymethyl)dodecane
CID 150523131
isocyanic acid;4-(triethoxymethyl)dodecane
CID 172765955
1-propoxy-4-(triethoxymethyl)dodecane
CID 151853083
1-ethylperoxy-4-(triethoxymethyl)dodecane
CID 151956548
(4R)-N-ethyl-4-(triethoxymethyl)dodecan-1-amine
CID 150711202
11-(triethoxymethyl)nonadec-1-ene
CID 150184812
butan-1-amine;4-(trimethoxymethyl)dodecane
CID 159368257
5-(butoxy-ethoxy-methoxymethyl)tridecane
CID 150034596
N'-[2-(1,1-diethoxyethyl)decyl]hexane-1,6-diamine
CID 150619896
1,2,3-trifluoro-5-[6-(triethoxymethyl)tetradecyl]benzene
CID 151762294
2-[5-(triethoxymethyl)tridecyl]oxirane
CID 152723885

Frequently Asked Questions

What is the IUPAC name of 7-(triethoxymethyl)pentadecan-1-amine?
The IUPAC name of 7-(triethoxymethyl)pentadecan-1-amine (CID 150888831) is 7-(triethoxymethyl)pentadecan-1-amine.
What is the SMILES notation for 7-(triethoxymethyl)pentadecan-1-amine?
The canonical SMILES for 7-(triethoxymethyl)pentadecan-1-amine is CCCCCCCCC(CCCCCCN)C(OCC)(OCC)OCC.
What is the InChIKey of 7-(triethoxymethyl)pentadecan-1-amine?
The InChIKey is KXPDOOXUFZFWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47NO3/c1-5-9-10-11-12-15-18-21(19-16-13-14-17-20-23)22(24-6-2,25-7-3)26-8-4/h21H,5-20,23H2,1-4H3.
What are the key properties of 7-(triethoxymethyl)pentadecan-1-amine?
7-(triethoxymethyl)pentadecan-1-amine has a molecular weight of 373.62 g/mol, XLogP of 6.03, 20 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(triethoxymethyl)pentadecan-1-amine is sourced from PubChem (CID 150888831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).