2-tert-butyl-N-(2-methoxyethyl)pent-4-en-1-amine

C12H25NO — CID 10821870

IUPAC2-tert-butyl-N-(2-methoxyethyl)pent-4-en-1-amine
SMILESC=CCC(CNCCOC)C(C)(C)C
InChIInChI=1S/C12H25NO/c1-6-7-11(12(2,3)4)10-13-8-9-14-5/h6,11,13H,1,7-10H2,2-5H3
InChIKeyFKLQHMLVQYINMB-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.46
Rot. Bonds7

About 2-tert-butyl-N-(2-methoxyethyl)pent-4-en-1-amine

2-tert-butyl-N-(2-methoxyethyl)pent-4-en-1-amine (PubChem CID 10821870) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-tert-butyl-N-(2-methoxyethyl)pent-4-en-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(2-methoxyethyl)pent-4-en-1-amine
PubChem CID10821870
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-tert-butyl-N-(2-methoxyethyl)pent-4-en-1-amine
SMILESC=CCC(CNCCOC)C(C)(C)C
InChIInChI=1S/C12H25NO/c1-6-7-11(12(2,3)4)10-13-8-9-14-5/h6,11,13H,1,7-10H2,2-5H3
InChIKeyFKLQHMLVQYINMB-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2-methoxyethyl)pent-4-en-1-amine?
The IUPAC name of 2-tert-butyl-N-(2-methoxyethyl)pent-4-en-1-amine (CID 10821870) is 2-tert-butyl-N-(2-methoxyethyl)pent-4-en-1-amine.
What is the SMILES notation for 2-tert-butyl-N-(2-methoxyethyl)pent-4-en-1-amine?
The canonical SMILES for 2-tert-butyl-N-(2-methoxyethyl)pent-4-en-1-amine is C=CCC(CNCCOC)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-(2-methoxyethyl)pent-4-en-1-amine?
The InChIKey is FKLQHMLVQYINMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-6-7-11(12(2,3)4)10-13-8-9-14-5/h6,11,13H,1,7-10H2,2-5H3.
What are the key properties of 2-tert-butyl-N-(2-methoxyethyl)pent-4-en-1-amine?
2-tert-butyl-N-(2-methoxyethyl)pent-4-en-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2-methoxyethyl)pent-4-en-1-amine is sourced from PubChem (CID 10821870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).