N-ethyl-3-(2-ethylhexoxy)propan-1-amine

C13H29NO — CID 62455296

IUPACN-ethyl-3-(2-ethylhexoxy)propan-1-amine
SMILESCCCCC(CC)COCCCNCC
InChIInChI=1S/C13H29NO/c1-4-7-9-13(5-2)12-15-11-8-10-14-6-3/h13-14H,4-12H2,1-3H3
InChIKeyNZQSTMRCSNAWIX-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.22
Rot. Bonds11

About N-ethyl-3-(2-ethylhexoxy)propan-1-amine

N-ethyl-3-(2-ethylhexoxy)propan-1-amine (PubChem CID 62455296) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N-ethyl-3-(2-ethylhexoxy)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-ethylhexoxy)propan-1-amine
PubChem CID62455296
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN-ethyl-3-(2-ethylhexoxy)propan-1-amine
SMILESCCCCC(CC)COCCCNCC
InChIInChI=1S/C13H29NO/c1-4-7-9-13(5-2)12-15-11-8-10-14-6-3/h13-14H,4-12H2,1-3H3
InChIKeyNZQSTMRCSNAWIX-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.22
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-ethylhexoxy)propan-1-amine?
The IUPAC name of N-ethyl-3-(2-ethylhexoxy)propan-1-amine (CID 62455296) is N-ethyl-3-(2-ethylhexoxy)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-ethylhexoxy)propan-1-amine?
The canonical SMILES for N-ethyl-3-(2-ethylhexoxy)propan-1-amine is CCCCC(CC)COCCCNCC.
What is the InChIKey of N-ethyl-3-(2-ethylhexoxy)propan-1-amine?
The InChIKey is NZQSTMRCSNAWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-4-7-9-13(5-2)12-15-11-8-10-14-6-3/h13-14H,4-12H2,1-3H3.
What are the key properties of N-ethyl-3-(2-ethylhexoxy)propan-1-amine?
N-ethyl-3-(2-ethylhexoxy)propan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.22, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-ethylhexoxy)propan-1-amine is sourced from PubChem (CID 62455296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).