methyl 2-(propan-2-ylideneamino)hexanoate

C10H19NO2 — CID 11819747

IUPACmethyl 2-(propan-2-ylideneamino)hexanoate
SMILESCCCCC(N=C(C)C)C(=O)OC
InChIInChI=1S/C10H19NO2/c1-5-6-7-9(10(12)13-4)11-8(2)3/h9H,5-7H2,1-4H3
InChIKeyPYXHJALYUVCOSA-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.20
Rot. Bonds5

About methyl 2-(propan-2-ylideneamino)hexanoate

methyl 2-(propan-2-ylideneamino)hexanoate (PubChem CID 11819747) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 2-(propan-2-ylideneamino)hexanoate.

Molecular Properties

Compound Namemethyl 2-(propan-2-ylideneamino)hexanoate
PubChem CID11819747
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 2-(propan-2-ylideneamino)hexanoate
SMILESCCCCC(N=C(C)C)C(=O)OC
InChIInChI=1S/C10H19NO2/c1-5-6-7-9(10(12)13-4)11-8(2)3/h9H,5-7H2,1-4H3
InChIKeyPYXHJALYUVCOSA-UHFFFAOYSA-N
XLogP2.20
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(propan-2-ylideneamino)hexanoate?
The IUPAC name of methyl 2-(propan-2-ylideneamino)hexanoate (CID 11819747) is methyl 2-(propan-2-ylideneamino)hexanoate.
What is the SMILES notation for methyl 2-(propan-2-ylideneamino)hexanoate?
The canonical SMILES for methyl 2-(propan-2-ylideneamino)hexanoate is CCCCC(N=C(C)C)C(=O)OC.
What is the InChIKey of methyl 2-(propan-2-ylideneamino)hexanoate?
The InChIKey is PYXHJALYUVCOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-6-7-9(10(12)13-4)11-8(2)3/h9H,5-7H2,1-4H3.
What are the key properties of methyl 2-(propan-2-ylideneamino)hexanoate?
methyl 2-(propan-2-ylideneamino)hexanoate has a molecular weight of 185.27 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(propan-2-ylideneamino)hexanoate is sourced from PubChem (CID 11819747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).