2-(2-tetradecyloctadecoxy)ethanamine

C34H71NO — CID 139605045

IUPAC2-(2-tetradecyloctadecoxy)ethanamine
SMILESCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COCCN
InChIInChI=1S/C34H71NO/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-34(33-36-32-31-35)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h34H,3-33,35H2,1-2H3
InChIKeyNSGGDUWWHYZPNC-UHFFFAOYSA-N
MW509.95 g/mol
LogP11.54
Rot. Bonds32

About 2-(2-tetradecyloctadecoxy)ethanamine

2-(2-tetradecyloctadecoxy)ethanamine (PubChem CID 139605045) has the molecular formula C34H71NO and a molecular weight of 509.95 g/mol. Its IUPAC name is 2-(2-tetradecyloctadecoxy)ethanamine.

Molecular Properties

Compound Name2-(2-tetradecyloctadecoxy)ethanamine
PubChem CID139605045
Molecular FormulaC34H71NO
Molecular Weight509.95 g/mol
Exact Mass509.55
IUPAC Name2-(2-tetradecyloctadecoxy)ethanamine
SMILESCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COCCN
InChIInChI=1S/C34H71NO/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-34(33-36-32-31-35)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h34H,3-33,35H2,1-2H3
InChIKeyNSGGDUWWHYZPNC-UHFFFAOYSA-N
XLogP11.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds32
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.95
LogP ≤ 511.54
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-dodecylhexadecoxy)ethanamine
CID 139605053
2-(2-hexyldecoxy)ethanamine
CID 139605050
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-tetradecyloctadecoxy)ethanamine?
The IUPAC name of 2-(2-tetradecyloctadecoxy)ethanamine (CID 139605045) is 2-(2-tetradecyloctadecoxy)ethanamine.
What is the SMILES notation for 2-(2-tetradecyloctadecoxy)ethanamine?
The canonical SMILES for 2-(2-tetradecyloctadecoxy)ethanamine is CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COCCN.
What is the InChIKey of 2-(2-tetradecyloctadecoxy)ethanamine?
The InChIKey is NSGGDUWWHYZPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H71NO/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-34(33-36-32-31-35)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h34H,3-33,35H2,1-2H3.
What are the key properties of 2-(2-tetradecyloctadecoxy)ethanamine?
2-(2-tetradecyloctadecoxy)ethanamine has a molecular weight of 509.95 g/mol, XLogP of 11.54, 32 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tetradecyloctadecoxy)ethanamine is sourced from PubChem (CID 139605045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).