pentyl 3-imino-2,2-dimethylpropanoate

C10H19NO2 — CID 118481097

IUPACpentyl 3-imino-2,2-dimethylpropanoate
SMILES[H]/N=C/C(C)(C)C(=O)OCCCCC
InChIInChI=1S/C10H19NO2/c1-4-5-6-7-13-9(12)10(2,3)8-11/h8,11H,4-7H2,1-3H3/b11-8+
InChIKeyAIBXBKUVQXICIP-DHZHZOJOSA-N
MW185.27 g/mol
LogP2.40
Rot. Bonds6

About pentyl 3-imino-2,2-dimethylpropanoate

pentyl 3-imino-2,2-dimethylpropanoate (PubChem CID 118481097) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is pentyl 3-imino-2,2-dimethylpropanoate.

Molecular Properties

Compound Namepentyl 3-imino-2,2-dimethylpropanoate
PubChem CID118481097
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namepentyl 3-imino-2,2-dimethylpropanoate
SMILES[H]/N=C/C(C)(C)C(=O)OCCCCC
InChIInChI=1S/C10H19NO2/c1-4-5-6-7-13-9(12)10(2,3)8-11/h8,11H,4-7H2,1-3H3/b11-8+
InChIKeyAIBXBKUVQXICIP-DHZHZOJOSA-N
XLogP2.40
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
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 pentyl 3-imino-2,2-dimethylpropanoate?
The IUPAC name of pentyl 3-imino-2,2-dimethylpropanoate (CID 118481097) is pentyl 3-imino-2,2-dimethylpropanoate.
What is the SMILES notation for pentyl 3-imino-2,2-dimethylpropanoate?
The canonical SMILES for pentyl 3-imino-2,2-dimethylpropanoate is [H]/N=C/C(C)(C)C(=O)OCCCCC.
What is the InChIKey of pentyl 3-imino-2,2-dimethylpropanoate?
The InChIKey is AIBXBKUVQXICIP-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-5-6-7-13-9(12)10(2,3)8-11/h8,11H,4-7H2,1-3H3/b11-8+.
What are the key properties of pentyl 3-imino-2,2-dimethylpropanoate?
pentyl 3-imino-2,2-dimethylpropanoate has a molecular weight of 185.27 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 3-imino-2,2-dimethylpropanoate is sourced from PubChem (CID 118481097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).