N,N-diethylethanamine;hydroxycarbamic acid

C7H18N2O3 — CID 174953323

IUPACN,N-diethylethanamine;hydroxycarbamic acid
SMILESCCN(CC)CC.O=C(O)NO
InChIInChI=1S/C6H15N.CH3NO3/c1-4-7(5-2)6-3;3-1(4)2-5/h4-6H2,1-3H3;2,5H,(H,3,4)
InChIKeyPZMAKHREOWTKIW-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.99
Rot. Bonds3

About N,N-diethylethanamine;hydroxycarbamic acid

N,N-diethylethanamine;hydroxycarbamic acid (PubChem CID 174953323) has the molecular formula C7H18N2O3 and a molecular weight of 178.23 g/mol. Its IUPAC name is N,N-diethylethanamine;hydroxycarbamic acid.

Molecular Properties

Compound NameN,N-diethylethanamine;hydroxycarbamic acid
PubChem CID174953323
Molecular FormulaC7H18N2O3
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC NameN,N-diethylethanamine;hydroxycarbamic acid
SMILESCCN(CC)CC.O=C(O)NO
InChIInChI=1S/C6H15N.CH3NO3/c1-4-7(5-2)6-3;3-1(4)2-5/h4-6H2,1-3H3;2,5H,(H,3,4)
InChIKeyPZMAKHREOWTKIW-UHFFFAOYSA-N
XLogP0.99
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(N,N-diethylethanamine);oxalic acid
CID 71339505
acetic acid;N,N-diethylethanamine;dihydrochloride
CID 173065244
N,N-diethylethanamine;N-methylacetamide
CID 19745535
N,N-diethylethanamine;ethyl methyl carbonate
CID 175445497
N,N-diethylethanamine;ethane
CID 22114990
N,N-diethylethanamine;N-ethylacetamide
CID 174959939
N,N-diethylethanamine;2,2,2-trifluoroacetic acid;hydrate
CID 175431120
N,N-diethylethanamine;methanesulfonic acid;hydrochloride
CID 87836130
N,N-diethylethanamine;methanol;acetate
CID 19101833
N,N-diethylethanamine;hypochlorous acid
CID 87187871
N,N-diethylethanamine;oxotitanium
CID 174882939
N,N-diethylethanamine;formaldehyde
CID 88603277

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;hydroxycarbamic acid?
The IUPAC name of N,N-diethylethanamine;hydroxycarbamic acid (CID 174953323) is N,N-diethylethanamine;hydroxycarbamic acid.
What is the SMILES notation for N,N-diethylethanamine;hydroxycarbamic acid?
The canonical SMILES for N,N-diethylethanamine;hydroxycarbamic acid is CCN(CC)CC.O=C(O)NO.
What is the InChIKey of N,N-diethylethanamine;hydroxycarbamic acid?
The InChIKey is PZMAKHREOWTKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.CH3NO3/c1-4-7(5-2)6-3;3-1(4)2-5/h4-6H2,1-3H3;2,5H,(H,3,4).
What are the key properties of N,N-diethylethanamine;hydroxycarbamic acid?
N,N-diethylethanamine;hydroxycarbamic acid has a molecular weight of 178.23 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;hydroxycarbamic acid is sourced from PubChem (CID 174953323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).