N-[(E)-but-2-enyl]-2-methylbutan-1-amine

C9H19N — CID 55300434

IUPACN-[(E)-but-2-enyl]-2-methylbutan-1-amine
SMILESC/C=C/CNCC(C)CC
InChIInChI=1S/C9H19N/c1-4-6-7-10-8-9(3)5-2/h4,6,9-10H,5,7-8H2,1-3H3/b6-4+
InChIKeyRYJIOVBPKKTYII-GQCTYLIASA-N
MW141.26 g/mol
LogP2.20
Rot. Bonds5

About N-[(E)-but-2-enyl]-2-methylbutan-1-amine

N-[(E)-but-2-enyl]-2-methylbutan-1-amine (PubChem CID 55300434) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2-methylbutan-1-amine
PubChem CID55300434
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN-[(E)-but-2-enyl]-2-methylbutan-1-amine
SMILESC/C=C/CNCC(C)CC
InChIInChI=1S/C9H19N/c1-4-6-7-10-8-9(3)5-2/h4,6,9-10H,5,7-8H2,1-3H3/b6-4+
InChIKeyRYJIOVBPKKTYII-GQCTYLIASA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-2-methylbutan-1-amine?
The IUPAC name of N-[(E)-but-2-enyl]-2-methylbutan-1-amine (CID 55300434) is N-[(E)-but-2-enyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-[(E)-but-2-enyl]-2-methylbutan-1-amine?
The canonical SMILES for N-[(E)-but-2-enyl]-2-methylbutan-1-amine is C/C=C/CNCC(C)CC.
What is the InChIKey of N-[(E)-but-2-enyl]-2-methylbutan-1-amine?
The InChIKey is RYJIOVBPKKTYII-GQCTYLIASA-N. The full InChI is InChI=1S/C9H19N/c1-4-6-7-10-8-9(3)5-2/h4,6,9-10H,5,7-8H2,1-3H3/b6-4+.
What are the key properties of N-[(E)-but-2-enyl]-2-methylbutan-1-amine?
N-[(E)-but-2-enyl]-2-methylbutan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-2-methylbutan-1-amine is sourced from PubChem (CID 55300434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).