propan-2-yl 6-methyliminohexanoate

C10H19NO2 — CID 134476325

IUPACpropan-2-yl 6-methyliminohexanoate
SMILESC/N=C/CCCCC(=O)OC(C)C
InChIInChI=1S/C10H19NO2/c1-9(2)13-10(12)7-5-4-6-8-11-3/h8-9H,4-7H2,1-3H3/b11-8+
InChIKeyAVBPNTNYGNMALB-DHZHZOJOSA-N
MW185.27 g/mol
LogP2.20
Rot. Bonds6

About propan-2-yl 6-methyliminohexanoate

propan-2-yl 6-methyliminohexanoate (PubChem CID 134476325) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is propan-2-yl 6-methyliminohexanoate.

Molecular Properties

Compound Namepropan-2-yl 6-methyliminohexanoate
PubChem CID134476325
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namepropan-2-yl 6-methyliminohexanoate
SMILESC/N=C/CCCCC(=O)OC(C)C
InChIInChI=1S/C10H19NO2/c1-9(2)13-10(12)7-5-4-6-8-11-3/h8-9H,4-7H2,1-3H3/b11-8+
InChIKeyAVBPNTNYGNMALB-DHZHZOJOSA-N
XLogP2.20
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-methyliminohexanoate?
The IUPAC name of propan-2-yl 6-methyliminohexanoate (CID 134476325) is propan-2-yl 6-methyliminohexanoate.
What is the SMILES notation for propan-2-yl 6-methyliminohexanoate?
The canonical SMILES for propan-2-yl 6-methyliminohexanoate is C/N=C/CCCCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 6-methyliminohexanoate?
The InChIKey is AVBPNTNYGNMALB-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(2)13-10(12)7-5-4-6-8-11-3/h8-9H,4-7H2,1-3H3/b11-8+.
What are the key properties of propan-2-yl 6-methyliminohexanoate?
propan-2-yl 6-methyliminohexanoate has a molecular weight of 185.27 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-methyliminohexanoate is sourced from PubChem (CID 134476325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).