(Z)-3-methyl-1-[(Z)-prop-1-enoxy]but-1-en-2-amine

C8H15NO — CID 155122768

IUPAC(Z)-3-methyl-1-[(Z)-prop-1-enoxy]but-1-en-2-amine
SMILESC/C=C\O/C=C(\N)C(C)C
InChIInChI=1S/C8H15NO/c1-4-5-10-6-8(9)7(2)3/h4-7H,9H2,1-3H3/b5-4-,8-6-
InChIKeyWAVBPJGJMOYEFG-NADLECRISA-N
MW141.21 g/mol
LogP1.99
Rot. Bonds3

About (Z)-3-methyl-1-[(Z)-prop-1-enoxy]but-1-en-2-amine

(Z)-3-methyl-1-[(Z)-prop-1-enoxy]but-1-en-2-amine (PubChem CID 155122768) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (Z)-3-methyl-1-[(Z)-prop-1-enoxy]but-1-en-2-amine.

Molecular Properties

Compound Name(Z)-3-methyl-1-[(Z)-prop-1-enoxy]but-1-en-2-amine
PubChem CID155122768
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(Z)-3-methyl-1-[(Z)-prop-1-enoxy]but-1-en-2-amine
SMILESC/C=C\O/C=C(\N)C(C)C
InChIInChI=1S/C8H15NO/c1-4-5-10-6-8(9)7(2)3/h4-7H,9H2,1-3H3/b5-4-,8-6-
InChIKeyWAVBPJGJMOYEFG-NADLECRISA-N
XLogP1.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-1-[(Z)-prop-1-enoxy]but-1-en-2-amine?
The IUPAC name of (Z)-3-methyl-1-[(Z)-prop-1-enoxy]but-1-en-2-amine (CID 155122768) is (Z)-3-methyl-1-[(Z)-prop-1-enoxy]but-1-en-2-amine.
What is the SMILES notation for (Z)-3-methyl-1-[(Z)-prop-1-enoxy]but-1-en-2-amine?
The canonical SMILES for (Z)-3-methyl-1-[(Z)-prop-1-enoxy]but-1-en-2-amine is C/C=C\O/C=C(\N)C(C)C.
What is the InChIKey of (Z)-3-methyl-1-[(Z)-prop-1-enoxy]but-1-en-2-amine?
The InChIKey is WAVBPJGJMOYEFG-NADLECRISA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-10-6-8(9)7(2)3/h4-7H,9H2,1-3H3/b5-4-,8-6-.
What are the key properties of (Z)-3-methyl-1-[(Z)-prop-1-enoxy]but-1-en-2-amine?
(Z)-3-methyl-1-[(Z)-prop-1-enoxy]but-1-en-2-amine has a molecular weight of 141.21 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-1-[(Z)-prop-1-enoxy]but-1-en-2-amine is sourced from PubChem (CID 155122768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).