(E)-4-methoxy-N,2-dimethylbut-1-en-1-amine

C7H15NO — CID 174271383

IUPAC(E)-4-methoxy-N,2-dimethylbut-1-en-1-amine
SMILESCN/C=C(\C)CCOC
InChIInChI=1S/C7H15NO/c1-7(6-8-2)4-5-9-3/h6,8H,4-5H2,1-3H3/b7-6+
InChIKeyPQRDNJRXYYLPLF-VOTSOKGWSA-N
MW129.20 g/mol
LogP1.15
Rot. Bonds4

About (E)-4-methoxy-N,2-dimethylbut-1-en-1-amine

(E)-4-methoxy-N,2-dimethylbut-1-en-1-amine (PubChem CID 174271383) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (E)-4-methoxy-N,2-dimethylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-4-methoxy-N,2-dimethylbut-1-en-1-amine
PubChem CID174271383
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(E)-4-methoxy-N,2-dimethylbut-1-en-1-amine
SMILESCN/C=C(\C)CCOC
InChIInChI=1S/C7H15NO/c1-7(6-8-2)4-5-9-3/h6,8H,4-5H2,1-3H3/b7-6+
InChIKeyPQRDNJRXYYLPLF-VOTSOKGWSA-N
XLogP1.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-4-methoxy-N,2-dimethylbut-1-en-1-amine?
The IUPAC name of (E)-4-methoxy-N,2-dimethylbut-1-en-1-amine (CID 174271383) is (E)-4-methoxy-N,2-dimethylbut-1-en-1-amine.
What is the SMILES notation for (E)-4-methoxy-N,2-dimethylbut-1-en-1-amine?
The canonical SMILES for (E)-4-methoxy-N,2-dimethylbut-1-en-1-amine is CN/C=C(\C)CCOC.
What is the InChIKey of (E)-4-methoxy-N,2-dimethylbut-1-en-1-amine?
The InChIKey is PQRDNJRXYYLPLF-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(6-8-2)4-5-9-3/h6,8H,4-5H2,1-3H3/b7-6+.
What are the key properties of (E)-4-methoxy-N,2-dimethylbut-1-en-1-amine?
(E)-4-methoxy-N,2-dimethylbut-1-en-1-amine has a molecular weight of 129.20 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methoxy-N,2-dimethylbut-1-en-1-amine is sourced from PubChem (CID 174271383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).