3-methyl-3-[(E)-prop-1-enoxy]butan-1-amine

C8H17NO — CID 163525100

IUPAC3-methyl-3-[(E)-prop-1-enoxy]butan-1-amine
SMILESC/C=C/OC(C)(C)CCN
InChIInChI=1S/C8H17NO/c1-4-7-10-8(2,3)5-6-9/h4,7H,5-6,9H2,1-3H3/b7-4+
InChIKeyDOBPQXJVIYZCEJ-QPJJXVBHSA-N
MW143.23 g/mol
LogP1.66
Rot. Bonds4

About 3-methyl-3-[(E)-prop-1-enoxy]butan-1-amine

3-methyl-3-[(E)-prop-1-enoxy]butan-1-amine (PubChem CID 163525100) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-methyl-3-[(E)-prop-1-enoxy]butan-1-amine.

Molecular Properties

Compound Name3-methyl-3-[(E)-prop-1-enoxy]butan-1-amine
PubChem CID163525100
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-methyl-3-[(E)-prop-1-enoxy]butan-1-amine
SMILESC/C=C/OC(C)(C)CCN
InChIInChI=1S/C8H17NO/c1-4-7-10-8(2,3)5-6-9/h4,7H,5-6,9H2,1-3H3/b7-4+
InChIKeyDOBPQXJVIYZCEJ-QPJJXVBHSA-N
XLogP1.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.66
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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Related Compounds

3-[(Z)-prop-1-enoxy]butan-1-amine
CID 134485277
3-Methyl-3-prop-2-enoxybutan-1-amine;molecular hydrogen
CID 177036551
N,3-dimethyl-3-[(E)-prop-1-enoxy]pentan-1-amine
CID 143953797
3-Methyl-3-prop-2-enoxybutan-1-amine
CID 177036552

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(E)-prop-1-enoxy]butan-1-amine?
The IUPAC name of 3-methyl-3-[(E)-prop-1-enoxy]butan-1-amine (CID 163525100) is 3-methyl-3-[(E)-prop-1-enoxy]butan-1-amine.
What is the SMILES notation for 3-methyl-3-[(E)-prop-1-enoxy]butan-1-amine?
The canonical SMILES for 3-methyl-3-[(E)-prop-1-enoxy]butan-1-amine is C/C=C/OC(C)(C)CCN.
What is the InChIKey of 3-methyl-3-[(E)-prop-1-enoxy]butan-1-amine?
The InChIKey is DOBPQXJVIYZCEJ-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-7-10-8(2,3)5-6-9/h4,7H,5-6,9H2,1-3H3/b7-4+.
What are the key properties of 3-methyl-3-[(E)-prop-1-enoxy]butan-1-amine?
3-methyl-3-[(E)-prop-1-enoxy]butan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(E)-prop-1-enoxy]butan-1-amine is sourced from PubChem (CID 163525100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).