(5-amino-5-iminopentyl) acetate

C7H14N2O2 — CID 54523282

IUPAC(5-amino-5-iminopentyl) acetate
SMILES[H]/N=C(\N)CCCCOC(C)=O
InChIInChI=1S/C7H14N2O2/c1-6(10)11-5-3-2-4-7(8)9/h2-5H2,1H3,(H3,8,9)
InChIKeyMURYFSBLLQJIGN-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.66
Rot. Bonds5

About (5-amino-5-iminopentyl) acetate

(5-amino-5-iminopentyl) acetate (PubChem CID 54523282) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (5-amino-5-iminopentyl) acetate.

Molecular Properties

Compound Name(5-amino-5-iminopentyl) acetate
PubChem CID54523282
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(5-amino-5-iminopentyl) acetate
SMILES[H]/N=C(\N)CCCCOC(C)=O
InChIInChI=1S/C7H14N2O2/c1-6(10)11-5-3-2-4-7(8)9/h2-5H2,1H3,(H3,8,9)
InChIKeyMURYFSBLLQJIGN-UHFFFAOYSA-N
XLogP0.66
TPSA76.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(4-amino-4-iminobutyl) acetate
CID 118644708
acetic acid;4-methoxybutanimidamide
CID 162326172
(2-amino-2-iminoethyl) acetate;hydrochloride
CID 172736358
11-acetyloxyundecyl acetate
CID 87784419
4-[carbamimidoyl(methyl)amino]butyl acetate
CID 54284937
5-acetyloxypentanoic acid
CID 12642003
octadecanediimidamide;dihydrochloride
CID 24741615
3-iminobutyl acetate
CID 163586069
8-amino-8-iminooctanoic acid
CID 139654610
13-acetyloxytridecanoic acid
CID 10084643
22-acetyloxydocosanoic acid
CID 91481566
(10-bromo-10-oxodecyl) acetate
CID 141175497

Frequently Asked Questions

What is the IUPAC name of (5-amino-5-iminopentyl) acetate?
The IUPAC name of (5-amino-5-iminopentyl) acetate (CID 54523282) is (5-amino-5-iminopentyl) acetate.
What is the SMILES notation for (5-amino-5-iminopentyl) acetate?
The canonical SMILES for (5-amino-5-iminopentyl) acetate is [H]/N=C(\N)CCCCOC(C)=O.
What is the InChIKey of (5-amino-5-iminopentyl) acetate?
The InChIKey is MURYFSBLLQJIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-6(10)11-5-3-2-4-7(8)9/h2-5H2,1H3,(H3,8,9).
What are the key properties of (5-amino-5-iminopentyl) acetate?
(5-amino-5-iminopentyl) acetate has a molecular weight of 158.20 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-5-iminopentyl) acetate is sourced from PubChem (CID 54523282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).