N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine

C16H33NO — CID 145216622

IUPACN-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine
SMILESC=C(NCCC(C)(C)OCC)C(CC)(CC)CC
InChIInChI=1S/C16H33NO/c1-8-16(9-2,10-3)14(5)17-13-12-15(6,7)18-11-4/h17H,5,8-13H2,1-4,6-7H3
InChIKeyNXDQGGRGZWMWJQ-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.51
Rot. Bonds10

About N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine

N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine (PubChem CID 145216622) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine.

Molecular Properties

Compound NameN-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine
PubChem CID145216622
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine
SMILESC=C(NCCC(C)(C)OCC)C(CC)(CC)CC
InChIInChI=1S/C16H33NO/c1-8-16(9-2,10-3)14(5)17-13-12-15(6,7)18-11-4/h17H,5,8-13H2,1-4,6-7H3
InChIKeyNXDQGGRGZWMWJQ-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine?
The IUPAC name of N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine (CID 145216622) is N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine.
What is the SMILES notation for N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine?
The canonical SMILES for N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine is C=C(NCCC(C)(C)OCC)C(CC)(CC)CC.
What is the InChIKey of N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine?
The InChIKey is NXDQGGRGZWMWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-8-16(9-2,10-3)14(5)17-13-12-15(6,7)18-11-4/h17H,5,8-13H2,1-4,6-7H3.
What are the key properties of N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine?
N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine has a molecular weight of 255.45 g/mol, XLogP of 4.51, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine is sourced from PubChem (CID 145216622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).