acetic acid;N,N-diethylbutan-2-amine;hydroiodide

C10H24INO2 — CID 87971936

IUPACacetic acid;N,N-diethylbutan-2-amine;hydroiodide
SMILESCC(=O)O.CCC(C)N(CC)CC.I
InChIInChI=1S/C8H19N.C2H4O2.HI/c1-5-8(4)9(6-2)7-3;1-2(3)4;/h8H,5-7H2,1-4H3;1H3,(H,3,4);1H
InChIKeyDHNHXJOTJSMPGZ-UHFFFAOYSA-N
MW317.21 g/mol
LogP2.84
Rot. Bonds4

About acetic acid;N,N-diethylbutan-2-amine;hydroiodide

acetic acid;N,N-diethylbutan-2-amine;hydroiodide (PubChem CID 87971936) has the molecular formula C10H24INO2 and a molecular weight of 317.21 g/mol. Its IUPAC name is acetic acid;N,N-diethylbutan-2-amine;hydroiodide.

Molecular Properties

Compound Nameacetic acid;N,N-diethylbutan-2-amine;hydroiodide
PubChem CID87971936
Molecular FormulaC10H24INO2
Molecular Weight317.21 g/mol
Exact Mass317.09
IUPAC Nameacetic acid;N,N-diethylbutan-2-amine;hydroiodide
SMILESCC(=O)O.CCC(C)N(CC)CC.I
InChIInChI=1S/C8H19N.C2H4O2.HI/c1-5-8(4)9(6-2)7-3;1-2(3)4;/h8H,5-7H2,1-4H3;1H3,(H,3,4);1H
InChIKeyDHNHXJOTJSMPGZ-UHFFFAOYSA-N
XLogP2.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;2-methylbutane
CID 172862544
acetic acid;bis(butan-2-ol)
CID 139558658
(2S)-2-(diethylamino)propanoic acid
CID 18664197
3-[butan-2-yl(ethyl)amino]-2-ethoxypropanoic acid
CID 63068258
N,N-diethylpentan-2-amine;2-methylprop-2-enoic acid
CID 161380270
(2R)-1-[butan-2-yl(ethyl)amino]propan-2-ol
CID 103934940
acetic acid;tetraethylphosphanium
CID 159003626
2-[butan-2-yl(2-methylpropyl)amino]acetic acid
CID 60835163
N-ethyl-N-(2-methylpropyl)butan-2-amine
CID 54537801
acetic acid;N,N-diethylethanamine;dihydrochloride
CID 173065244
3-(diethylamino)-2-methylidenebutanoic acid
CID 87069221
(2R)-2-(diethylamino)-4-methylhexan-3-one
CID 130410399

Frequently Asked Questions

What is the IUPAC name of acetic acid;N,N-diethylbutan-2-amine;hydroiodide?
The IUPAC name of acetic acid;N,N-diethylbutan-2-amine;hydroiodide (CID 87971936) is acetic acid;N,N-diethylbutan-2-amine;hydroiodide.
What is the SMILES notation for acetic acid;N,N-diethylbutan-2-amine;hydroiodide?
The canonical SMILES for acetic acid;N,N-diethylbutan-2-amine;hydroiodide is CC(=O)O.CCC(C)N(CC)CC.I.
What is the InChIKey of acetic acid;N,N-diethylbutan-2-amine;hydroiodide?
The InChIKey is DHNHXJOTJSMPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C2H4O2.HI/c1-5-8(4)9(6-2)7-3;1-2(3)4;/h8H,5-7H2,1-4H3;1H3,(H,3,4);1H.
What are the key properties of acetic acid;N,N-diethylbutan-2-amine;hydroiodide?
acetic acid;N,N-diethylbutan-2-amine;hydroiodide has a molecular weight of 317.21 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N,N-diethylbutan-2-amine;hydroiodide is sourced from PubChem (CID 87971936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).