N-ethyl-2,4,4,5,5-pentamethyl-6-(2-methylbut-3-en-2-yloxy)hexan-1-amine

C18H37NO — CID 90692861

IUPACN-ethyl-2,4,4,5,5-pentamethyl-6-(2-methylbut-3-en-2-yloxy)hexan-1-amine
SMILESC=CC(C)(C)OCC(C)(C)C(C)(C)CC(C)CNCC
InChIInChI=1S/C18H37NO/c1-10-18(8,9)20-14-17(6,7)16(4,5)12-15(3)13-19-11-2/h10,15,19H,1,11-14H2,2-9H3
InChIKeyWNXKLNCCZSQNFK-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.66
Rot. Bonds10

About N-ethyl-2,4,4,5,5-pentamethyl-6-(2-methylbut-3-en-2-yloxy)hexan-1-amine

N-ethyl-2,4,4,5,5-pentamethyl-6-(2-methylbut-3-en-2-yloxy)hexan-1-amine (PubChem CID 90692861) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N-ethyl-2,4,4,5,5-pentamethyl-6-(2-methylbut-3-en-2-yloxy)hexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,4,4,5,5-pentamethyl-6-(2-methylbut-3-en-2-yloxy)hexan-1-amine
PubChem CID90692861
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN-ethyl-2,4,4,5,5-pentamethyl-6-(2-methylbut-3-en-2-yloxy)hexan-1-amine
SMILESC=CC(C)(C)OCC(C)(C)C(C)(C)CC(C)CNCC
InChIInChI=1S/C18H37NO/c1-10-18(8,9)20-14-17(6,7)16(4,5)12-15(3)13-19-11-2/h10,15,19H,1,11-14H2,2-9H3
InChIKeyWNXKLNCCZSQNFK-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.66
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-ethyl-2,4,4,5,5-pentamethyl-6-(2-methylbut-3-en-2-yloxy)hexan-1-amine?
The IUPAC name of N-ethyl-2,4,4,5,5-pentamethyl-6-(2-methylbut-3-en-2-yloxy)hexan-1-amine (CID 90692861) is N-ethyl-2,4,4,5,5-pentamethyl-6-(2-methylbut-3-en-2-yloxy)hexan-1-amine.
What is the SMILES notation for N-ethyl-2,4,4,5,5-pentamethyl-6-(2-methylbut-3-en-2-yloxy)hexan-1-amine?
The canonical SMILES for N-ethyl-2,4,4,5,5-pentamethyl-6-(2-methylbut-3-en-2-yloxy)hexan-1-amine is C=CC(C)(C)OCC(C)(C)C(C)(C)CC(C)CNCC.
What is the InChIKey of N-ethyl-2,4,4,5,5-pentamethyl-6-(2-methylbut-3-en-2-yloxy)hexan-1-amine?
The InChIKey is WNXKLNCCZSQNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-10-18(8,9)20-14-17(6,7)16(4,5)12-15(3)13-19-11-2/h10,15,19H,1,11-14H2,2-9H3.
What are the key properties of N-ethyl-2,4,4,5,5-pentamethyl-6-(2-methylbut-3-en-2-yloxy)hexan-1-amine?
N-ethyl-2,4,4,5,5-pentamethyl-6-(2-methylbut-3-en-2-yloxy)hexan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 4.66, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4,4,5,5-pentamethyl-6-(2-methylbut-3-en-2-yloxy)hexan-1-amine is sourced from PubChem (CID 90692861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).