azane;N,N-dimethylmethanamine;formic acid;phenyl butanoate

C15H28N2O6 — CID 174766179

IUPACazane;N,N-dimethylmethanamine;formic acid;phenyl butanoate
SMILESCCCC(=O)Oc1ccccc1.CN(C)C.N.O=CO.O=CO
InChIInChI=1S/C10H12O2.C3H9N.2CH2O2.H3N/c1-2-6-10(11)12-9-7-4-3-5-8-9;1-4(2)3;2*2-1-3;/h3-5,7-8H,2,6H2,1H3;1-3H3;2*1H,(H,2,3);1H3
InChIKeyWRAOWLWQVMIZEA-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.13
Rot. Bonds3

About azane;N,N-dimethylmethanamine;formic acid;phenyl butanoate

azane;N,N-dimethylmethanamine;formic acid;phenyl butanoate (PubChem CID 174766179) has the molecular formula C15H28N2O6 and a molecular weight of 332.40 g/mol. Its IUPAC name is azane;N,N-dimethylmethanamine;formic acid;phenyl butanoate.

Molecular Properties

Compound Nameazane;N,N-dimethylmethanamine;formic acid;phenyl butanoate
PubChem CID174766179
Molecular FormulaC15H28N2O6
Molecular Weight332.40 g/mol
Exact Mass332.19
IUPAC Nameazane;N,N-dimethylmethanamine;formic acid;phenyl butanoate
SMILESCCCC(=O)Oc1ccccc1.CN(C)C.N.O=CO.O=CO
InChIInChI=1S/C10H12O2.C3H9N.2CH2O2.H3N/c1-2-6-10(11)12-9-7-4-3-5-8-9;1-4(2)3;2*2-1-3;/h3-5,7-8H,2,6H2,1H3;1-3H3;2*1H,(H,2,3);1H3
InChIKeyWRAOWLWQVMIZEA-UHFFFAOYSA-N
XLogP2.13
TPSA139.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

phenyl butanoate
CID 20354
alumane;phenyl butanoate
CID 174579212
phenyl butanoate;zirconium
CID 175596905
carbonochloridic acid;phenyl butanoate
CID 174739979
phenyl butanoate;phenyl propanoate
CID 139490117
mercury;phenyl octadecanoate
CID 158061503
CID 172745992
CID 172745992
phenyl hexapentacontanoate
CID 139682998
phenyl hexacosanoate
CID 23321598
phenyl tridecanoate
CID 54389784
phenyl dopentacontanoate
CID 139682818
phenyl triacontanoate
CID 54018873

Frequently Asked Questions

What is the IUPAC name of azane;N,N-dimethylmethanamine;formic acid;phenyl butanoate?
The IUPAC name of azane;N,N-dimethylmethanamine;formic acid;phenyl butanoate (CID 174766179) is azane;N,N-dimethylmethanamine;formic acid;phenyl butanoate.
What is the SMILES notation for azane;N,N-dimethylmethanamine;formic acid;phenyl butanoate?
The canonical SMILES for azane;N,N-dimethylmethanamine;formic acid;phenyl butanoate is CCCC(=O)Oc1ccccc1.CN(C)C.N.O=CO.O=CO.
What is the InChIKey of azane;N,N-dimethylmethanamine;formic acid;phenyl butanoate?
The InChIKey is WRAOWLWQVMIZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C3H9N.2CH2O2.H3N/c1-2-6-10(11)12-9-7-4-3-5-8-9;1-4(2)3;2*2-1-3;/h3-5,7-8H,2,6H2,1H3;1-3H3;2*1H,(H,2,3);1H3.
What are the key properties of azane;N,N-dimethylmethanamine;formic acid;phenyl butanoate?
azane;N,N-dimethylmethanamine;formic acid;phenyl butanoate has a molecular weight of 332.40 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N,N-dimethylmethanamine;formic acid;phenyl butanoate is sourced from PubChem (CID 174766179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).