1-aminopropyl (E)-2-methylhex-2-enoate

C10H19NO2 — CID 23322184

IUPAC1-aminopropyl (E)-2-methylhex-2-enoate
SMILESCCC/C=C(\C)C(=O)OC(N)CC
InChIInChI=1S/C10H19NO2/c1-4-6-7-8(3)10(12)13-9(11)5-2/h7,9H,4-6,11H2,1-3H3/b8-7+
InChIKeyOKEFAXDOBZLKTO-BQYQJAHWSA-N
MW185.27 g/mol
LogP1.97
Rot. Bonds5

About 1-aminopropyl (E)-2-methylhex-2-enoate

1-aminopropyl (E)-2-methylhex-2-enoate (PubChem CID 23322184) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-aminopropyl (E)-2-methylhex-2-enoate.

Molecular Properties

Compound Name1-aminopropyl (E)-2-methylhex-2-enoate
PubChem CID23322184
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-aminopropyl (E)-2-methylhex-2-enoate
SMILESCCC/C=C(\C)C(=O)OC(N)CC
InChIInChI=1S/C10H19NO2/c1-4-6-7-8(3)10(12)13-9(11)5-2/h7,9H,4-6,11H2,1-3H3/b8-7+
InChIKeyOKEFAXDOBZLKTO-BQYQJAHWSA-N
XLogP1.97
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-aminopropyl (E)-2-methylhex-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-aminopropyl (E)-2-methylhex-2-enoate?
The IUPAC name of 1-aminopropyl (E)-2-methylhex-2-enoate (CID 23322184) is 1-aminopropyl (E)-2-methylhex-2-enoate.
What is the SMILES notation for 1-aminopropyl (E)-2-methylhex-2-enoate?
The canonical SMILES for 1-aminopropyl (E)-2-methylhex-2-enoate is CCC/C=C(\C)C(=O)OC(N)CC.
What is the InChIKey of 1-aminopropyl (E)-2-methylhex-2-enoate?
The InChIKey is OKEFAXDOBZLKTO-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-6-7-8(3)10(12)13-9(11)5-2/h7,9H,4-6,11H2,1-3H3/b8-7+.
What are the key properties of 1-aminopropyl (E)-2-methylhex-2-enoate?
1-aminopropyl (E)-2-methylhex-2-enoate has a molecular weight of 185.27 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropyl (E)-2-methylhex-2-enoate is sourced from PubChem (CID 23322184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).