methyl 2-(heptylideneamino)acetate

C10H19NO2 — CID 139254784

IUPACmethyl 2-(heptylideneamino)acetate
SMILESCCCCCC/C=N/CC(=O)OC
InChIInChI=1S/C10H19NO2/c1-3-4-5-6-7-8-11-9-10(12)13-2/h8H,3-7,9H2,1-2H3/b11-8+
InChIKeyUVPMIPXOTUORHR-DHZHZOJOSA-N
MW185.27 g/mol
LogP2.20
Rot. Bonds7

About methyl 2-(heptylideneamino)acetate

methyl 2-(heptylideneamino)acetate (PubChem CID 139254784) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 2-(heptylideneamino)acetate.

Molecular Properties

Compound Namemethyl 2-(heptylideneamino)acetate
PubChem CID139254784
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 2-(heptylideneamino)acetate
SMILESCCCCCC/C=N/CC(=O)OC
InChIInChI=1S/C10H19NO2/c1-3-4-5-6-7-8-11-9-10(12)13-2/h8H,3-7,9H2,1-2H3/b11-8+
InChIKeyUVPMIPXOTUORHR-DHZHZOJOSA-N
XLogP2.20
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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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Related Compounds

Methyl 2-(cyclohexylmethylideneamino)acetate
CID 11480853
Methyl 2-(butylideneamino)acetate
CID 139254783
Ethyl 2-(2-ethylhexylideneamino)acetate
CID 132471480
Methyl 2-(undecylideneamino)acetate
CID 139254785
Methyl 2-(pentylideneamino)acetate
CID 73950311
2-(Undecylideneamino)acetic acid
CID 90737182
Methyl 2-(4-methylpentylideneamino)acetate
CID 141316297
Methyl 2-(hexylideneamino)acetate
CID 141316298
Methyl 2-(1-methoxypentylideneamino)acetate
CID 141615488
Ethyl 2-(pentylideneamino)acetate
CID 144653097
Methyl 2-(propylideneamino)acetate
CID 145532696
Methyl 2-(pentylideneamino)propanoate
CID 153521931

Frequently Asked Questions

What is the IUPAC name of methyl 2-(heptylideneamino)acetate?
The IUPAC name of methyl 2-(heptylideneamino)acetate (CID 139254784) is methyl 2-(heptylideneamino)acetate.
What is the SMILES notation for methyl 2-(heptylideneamino)acetate?
The canonical SMILES for methyl 2-(heptylideneamino)acetate is CCCCCC/C=N/CC(=O)OC.
What is the InChIKey of methyl 2-(heptylideneamino)acetate?
The InChIKey is UVPMIPXOTUORHR-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-4-5-6-7-8-11-9-10(12)13-2/h8H,3-7,9H2,1-2H3/b11-8+.
What are the key properties of methyl 2-(heptylideneamino)acetate?
methyl 2-(heptylideneamino)acetate has a molecular weight of 185.27 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(heptylideneamino)acetate is sourced from PubChem (CID 139254784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).