1-(tert-butylamino)propyl prop-2-enoate

C10H19NO2 — CID 18325536

IUPAC1-(tert-butylamino)propyl prop-2-enoate
SMILESC=CC(=O)OC(CC)NC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-6-8(11-10(3,4)5)13-9(12)7-2/h7-8,11H,2,6H2,1,3-5H3
InChIKeySXUFJRHDJSBBCZ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.84
Rot. Bonds4

About 1-(tert-butylamino)propyl prop-2-enoate

1-(tert-butylamino)propyl prop-2-enoate (PubChem CID 18325536) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(tert-butylamino)propyl prop-2-enoate.

Molecular Properties

Compound Name1-(tert-butylamino)propyl prop-2-enoate
PubChem CID18325536
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(tert-butylamino)propyl prop-2-enoate
SMILESC=CC(=O)OC(CC)NC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-6-8(11-10(3,4)5)13-9(12)7-2/h7-8,11H,2,6H2,1,3-5H3
InChIKeySXUFJRHDJSBBCZ-UHFFFAOYSA-N
XLogP1.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.84
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)propyl prop-2-enoate?
The IUPAC name of 1-(tert-butylamino)propyl prop-2-enoate (CID 18325536) is 1-(tert-butylamino)propyl prop-2-enoate.
What is the SMILES notation for 1-(tert-butylamino)propyl prop-2-enoate?
The canonical SMILES for 1-(tert-butylamino)propyl prop-2-enoate is C=CC(=O)OC(CC)NC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)propyl prop-2-enoate?
The InChIKey is SXUFJRHDJSBBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6-8(11-10(3,4)5)13-9(12)7-2/h7-8,11H,2,6H2,1,3-5H3.
What are the key properties of 1-(tert-butylamino)propyl prop-2-enoate?
1-(tert-butylamino)propyl prop-2-enoate has a molecular weight of 185.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)propyl prop-2-enoate is sourced from PubChem (CID 18325536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).