2-(2-dodecylhexadecoxy)ethanamine

C30H63NO — CID 139605053

IUPAC2-(2-dodecylhexadecoxy)ethanamine
SMILESCCCCCCCCCCCCCCC(CCCCCCCCCCCC)COCCN
InChIInChI=1S/C30H63NO/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-30(29-32-28-27-31)25-23-21-19-17-14-12-10-8-6-4-2/h30H,3-29,31H2,1-2H3
InChIKeyZSULNZFRDKIIHK-UHFFFAOYSA-N
MW453.84 g/mol
LogP9.98
Rot. Bonds28

About 2-(2-dodecylhexadecoxy)ethanamine

2-(2-dodecylhexadecoxy)ethanamine (PubChem CID 139605053) has the molecular formula C30H63NO and a molecular weight of 453.84 g/mol. Its IUPAC name is 2-(2-dodecylhexadecoxy)ethanamine.

Molecular Properties

Compound Name2-(2-dodecylhexadecoxy)ethanamine
PubChem CID139605053
Molecular FormulaC30H63NO
Molecular Weight453.84 g/mol
Exact Mass453.49
IUPAC Name2-(2-dodecylhexadecoxy)ethanamine
SMILESCCCCCCCCCCCCCCC(CCCCCCCCCCCC)COCCN
InChIInChI=1S/C30H63NO/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-30(29-32-28-27-31)25-23-21-19-17-14-12-10-8-6-4-2/h30H,3-29,31H2,1-2H3
InChIKeyZSULNZFRDKIIHK-UHFFFAOYSA-N
XLogP9.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.84
LogP ≤ 59.98
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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Related Compounds

2-(2-hexyldecoxy)ethanamine
CID 139605050
2-(2-tetradecyloctadecoxy)ethanamine
CID 139605045
2-[2-(2-methylpropyl)nonoxy]ethanamine
CID 150465081
9-(tetradecoxymethyl)nonadecane
CID 142746550
10-(butoxymethyl)henicosane
CID 87840055
6-(heptoxymethyl)tridecane
CID 87840359
7-(nonoxymethyl)pentadecane
CID 86224814
15-(2-tetradecyloctadecoxymethyl)hentriacontane
CID 19909391
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-6-(2-hexyldecoxy)-N-[6-(2-hexyldecoxy)hexyl]hexan-1-amine
CID 171607256
4-(butoxymethyl)nonane
CID 87066766
9-(4-methylpentoxymethyl)nonadecane
CID 59523007
2-(2-propylnonoxy)ethanol
CID 168837428

Frequently Asked Questions

What is the IUPAC name of 2-(2-dodecylhexadecoxy)ethanamine?
The IUPAC name of 2-(2-dodecylhexadecoxy)ethanamine (CID 139605053) is 2-(2-dodecylhexadecoxy)ethanamine.
What is the SMILES notation for 2-(2-dodecylhexadecoxy)ethanamine?
The canonical SMILES for 2-(2-dodecylhexadecoxy)ethanamine is CCCCCCCCCCCCCCC(CCCCCCCCCCCC)COCCN.
What is the InChIKey of 2-(2-dodecylhexadecoxy)ethanamine?
The InChIKey is ZSULNZFRDKIIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63NO/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-30(29-32-28-27-31)25-23-21-19-17-14-12-10-8-6-4-2/h30H,3-29,31H2,1-2H3.
What are the key properties of 2-(2-dodecylhexadecoxy)ethanamine?
2-(2-dodecylhexadecoxy)ethanamine has a molecular weight of 453.84 g/mol, XLogP of 9.98, 28 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dodecylhexadecoxy)ethanamine is sourced from PubChem (CID 139605053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).