6-aminohexyl 2-methylprop-2-enoate

C10H19NO2 — CID 18790357

IUPAC6-aminohexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCN
InChIInChI=1S/C10H19NO2/c1-9(2)10(12)13-8-6-4-3-5-7-11/h1,3-8,11H2,2H3
InChIKeyUKLKEQPYSNOCNO-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.62
Rot. Bonds7

About 6-aminohexyl 2-methylprop-2-enoate

6-aminohexyl 2-methylprop-2-enoate (PubChem CID 18790357) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 6-aminohexyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name6-aminohexyl 2-methylprop-2-enoate
PubChem CID18790357
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name6-aminohexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCN
InChIInChI=1S/C10H19NO2/c1-9(2)10(12)13-8-6-4-3-5-7-11/h1,3-8,11H2,2H3
InChIKeyUKLKEQPYSNOCNO-UHFFFAOYSA-N
XLogP1.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-aminohexyl 2-methylprop-2-enoate?
The IUPAC name of 6-aminohexyl 2-methylprop-2-enoate (CID 18790357) is 6-aminohexyl 2-methylprop-2-enoate.
What is the SMILES notation for 6-aminohexyl 2-methylprop-2-enoate?
The canonical SMILES for 6-aminohexyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCN.
What is the InChIKey of 6-aminohexyl 2-methylprop-2-enoate?
The InChIKey is UKLKEQPYSNOCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(2)10(12)13-8-6-4-3-5-7-11/h1,3-8,11H2,2H3.
What are the key properties of 6-aminohexyl 2-methylprop-2-enoate?
6-aminohexyl 2-methylprop-2-enoate has a molecular weight of 185.27 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexyl 2-methylprop-2-enoate is sourced from PubChem (CID 18790357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).