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

C14H32N2O — CID 159855754

IUPAC(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine;N-ethoxymethanamine
SMILESCC(C)(C)/C=C/CNC(C)(C)C.CCONC
InChIInChI=1S/C11H23N.C3H9NO/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/b8-7+;
InChIKeyNQMVDLOCDKIRCS-USRGLUTNSA-N
MW244.42 g/mol
LogP3.13
Rot. Bonds4

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

(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine;N-ethoxymethanamine (PubChem CID 159855754) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine;N-ethoxymethanamine.

Molecular Properties

Compound Name(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine;N-ethoxymethanamine
PubChem CID159855754
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine;N-ethoxymethanamine
SMILESCC(C)(C)/C=C/CNC(C)(C)C.CCONC
InChIInChI=1S/C11H23N.C3H9NO/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/b8-7+;
InChIKeyNQMVDLOCDKIRCS-USRGLUTNSA-N
XLogP3.13
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 53.13
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;methane
CID 158373653
(Z)-N-(1-methoxyethyl)-2-methylhex-3-en-2-amine
CID 163907496

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine;N-ethoxymethanamine?
The IUPAC name of (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine;N-ethoxymethanamine (CID 159855754) is (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine;N-ethoxymethanamine.
What is the SMILES notation for (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine;N-ethoxymethanamine?
The canonical SMILES for (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine;N-ethoxymethanamine is 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?
The InChIKey is NQMVDLOCDKIRCS-USRGLUTNSA-N. The full InChI is InChI=1S/C11H23N.C3H9NO/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/b8-7+;.
What are the key properties of (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine;N-ethoxymethanamine?
(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine;N-ethoxymethanamine has a molecular weight of 244.42 g/mol, XLogP of 3.13, 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 is sourced from PubChem (CID 159855754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).