(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine;N-ethoxymethanamine;methane

C16H40N2O — CID 158373653

IUPAC(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine;N-ethoxymethanamine;methane
SMILESC.C.CC(C)(C)/C=C/CNC(C)(C)C.CCONC
InChIInChI=1S/C11H23N.C3H9NO.2CH4/c1-10(2,3)8-7-9-12-11(4,5)6;1-3-5-4-2;;/h7-8,12H,9H2,1-6H3;4H,3H2,1-2H3;2*1H4/b8-7+;;;
InChIKeyGUXUZHOWMCQNGH-SYVONOGFSA-N
MW276.51 g/mol
LogP4.41
Rot. Bonds4

About (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine;N-ethoxymethanamine;methane

(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine;N-ethoxymethanamine;methane (PubChem CID 158373653) has the molecular formula C16H40N2O and a molecular weight of 276.51 g/mol. Its IUPAC name is (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine;N-ethoxymethanamine;methane.

Molecular Properties

Compound Name(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine;N-ethoxymethanamine;methane
PubChem CID158373653
Molecular FormulaC16H40N2O
Molecular Weight276.51 g/mol
Exact Mass276.31
IUPAC Name(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine;N-ethoxymethanamine;methane
SMILESC.C.CC(C)(C)/C=C/CNC(C)(C)C.CCONC
InChIInChI=1S/C11H23N.C3H9NO.2CH4/c1-10(2,3)8-7-9-12-11(4,5)6;1-3-5-4-2;;/h7-8,12H,9H2,1-6H3;4H,3H2,1-2H3;2*1H4/b8-7+;;;
InChIKeyGUXUZHOWMCQNGH-SYVONOGFSA-N
XLogP4.41
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.51
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine;N-ethoxymethanamine
CID 159855754

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine;N-ethoxymethanamine;methane?
The IUPAC name of (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine;N-ethoxymethanamine;methane (CID 158373653) is (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine;N-ethoxymethanamine;methane.
What is the SMILES notation for (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine;N-ethoxymethanamine;methane?
The canonical SMILES for (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine;N-ethoxymethanamine;methane is C.C.CC(C)(C)/C=C/CNC(C)(C)C.CCONC.
What is the InChIKey of (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine;N-ethoxymethanamine;methane?
The InChIKey is GUXUZHOWMCQNGH-SYVONOGFSA-N. The full InChI is InChI=1S/C11H23N.C3H9NO.2CH4/c1-10(2,3)8-7-9-12-11(4,5)6;1-3-5-4-2;;/h7-8,12H,9H2,1-6H3;4H,3H2,1-2H3;2*1H4/b8-7+;;;.
What are the key properties of (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine;N-ethoxymethanamine;methane?
(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine;N-ethoxymethanamine;methane has a molecular weight of 276.51 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine;N-ethoxymethanamine;methane is sourced from PubChem (CID 158373653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).