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

C9H17NO — CID 139495037

IUPAC2-methyl-2-[[(Z)-prop-1-enoxy]methyl]but-3-en-1-amine
SMILESC=CC(C)(CN)CO/C=C\C
InChIInChI=1S/C9H17NO/c1-4-6-11-8-9(3,5-2)7-10/h4-6H,2,7-8,10H2,1,3H3/b6-4-
InChIKeyWYBXKERUKDQSDP-XQRVVYSFSA-N
MW155.24 g/mol
LogP1.69
Rot. Bonds5

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

2-methyl-2-[[(Z)-prop-1-enoxy]methyl]but-3-en-1-amine (PubChem CID 139495037) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-methyl-2-[[(Z)-prop-1-enoxy]methyl]but-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-2-[[(Z)-prop-1-enoxy]methyl]but-3-en-1-amine
PubChem CID139495037
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-methyl-2-[[(Z)-prop-1-enoxy]methyl]but-3-en-1-amine
SMILESC=CC(C)(CN)CO/C=C\C
InChIInChI=1S/C9H17NO/c1-4-6-11-8-9(3,5-2)7-10/h4-6H,2,7-8,10H2,1,3H3/b6-4-
InChIKeyWYBXKERUKDQSDP-XQRVVYSFSA-N
XLogP1.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[(Z)-prop-1-enoxy]methyl]but-3-en-1-amine?
The IUPAC name of 2-methyl-2-[[(Z)-prop-1-enoxy]methyl]but-3-en-1-amine (CID 139495037) is 2-methyl-2-[[(Z)-prop-1-enoxy]methyl]but-3-en-1-amine.
What is the SMILES notation for 2-methyl-2-[[(Z)-prop-1-enoxy]methyl]but-3-en-1-amine?
The canonical SMILES for 2-methyl-2-[[(Z)-prop-1-enoxy]methyl]but-3-en-1-amine is C=CC(C)(CN)CO/C=C\C.
What is the InChIKey of 2-methyl-2-[[(Z)-prop-1-enoxy]methyl]but-3-en-1-amine?
The InChIKey is WYBXKERUKDQSDP-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-6-11-8-9(3,5-2)7-10/h4-6H,2,7-8,10H2,1,3H3/b6-4-.
What are the key properties of 2-methyl-2-[[(Z)-prop-1-enoxy]methyl]but-3-en-1-amine?
2-methyl-2-[[(Z)-prop-1-enoxy]methyl]but-3-en-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[(Z)-prop-1-enoxy]methyl]but-3-en-1-amine is sourced from PubChem (CID 139495037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).