N-tert-butyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine

C16H33NO — CID 103074535

IUPACN-tert-butyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COCC(CC)CCCC
InChIInChI=1S/C16H33NO/c1-7-9-10-15(8-2)13-18-12-14(3)11-17-16(4,5)6/h15,17H,3,7-13H2,1-2,4-6H3
InChIKeySBEPVGWLUDJTTL-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.16
Rot. Bonds10

About N-tert-butyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine

N-tert-butyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine (PubChem CID 103074535) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-tert-butyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine
PubChem CID103074535
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-tert-butyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COCC(CC)CCCC
InChIInChI=1S/C16H33NO/c1-7-9-10-15(8-2)13-18-12-14(3)11-17-16(4,5)6/h15,17H,3,7-13H2,1-2,4-6H3
InChIKeySBEPVGWLUDJTTL-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine (CID 103074535) is N-tert-butyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine is C=C(CNC(C)(C)C)COCC(CC)CCCC.
What is the InChIKey of N-tert-butyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine?
The InChIKey is SBEPVGWLUDJTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-7-9-10-15(8-2)13-18-12-14(3)11-17-16(4,5)6/h15,17H,3,7-13H2,1-2,4-6H3.
What are the key properties of N-tert-butyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine?
N-tert-butyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).