ethane;1-(ethylamino)-2-[ethyl(methyl)amino]ethanol

C9H24N2O — CID 142873748

IUPACethane;1-(ethylamino)-2-[ethyl(methyl)amino]ethanol
SMILESCC.CCNC(O)CN(C)CC
InChIInChI=1S/C7H18N2O.C2H6/c1-4-8-7(10)6-9(3)5-2;1-2/h7-8,10H,4-6H2,1-3H3;1-2H3
InChIKeyAEBHRFOSTBBXOT-UHFFFAOYSA-N
MW176.30 g/mol
LogP0.89
Rot. Bonds5

About ethane;1-(ethylamino)-2-[ethyl(methyl)amino]ethanol

ethane;1-(ethylamino)-2-[ethyl(methyl)amino]ethanol (PubChem CID 142873748) has the molecular formula C9H24N2O and a molecular weight of 176.30 g/mol. Its IUPAC name is ethane;1-(ethylamino)-2-[ethyl(methyl)amino]ethanol.

Molecular Properties

Compound Nameethane;1-(ethylamino)-2-[ethyl(methyl)amino]ethanol
PubChem CID142873748
Molecular FormulaC9H24N2O
Molecular Weight176.30 g/mol
Exact Mass176.19
IUPAC Nameethane;1-(ethylamino)-2-[ethyl(methyl)amino]ethanol
SMILESCC.CCNC(O)CN(C)CC
InChIInChI=1S/C7H18N2O.C2H6/c1-4-8-7(10)6-9(3)5-2;1-2/h7-8,10H,4-6H2,1-3H3;1-2H3
InChIKeyAEBHRFOSTBBXOT-UHFFFAOYSA-N
XLogP0.89
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-3-[ethyl(methyl)amino]propan-1-ol
CID 64797636
ethane;N-ethyl-N,2-dimethylpropan-1-amine
CID 143400672
1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine
CID 104744599
5-[1-[ethyl(methyl)amino]propan-2-ylamino]pentan-2-ol
CID 103110031
N-ethyl-2,3-difluoro-N-methylpropan-1-amine
CID 59154861
1,2-bis(ethylamino)ethanol
CID 130275854
1-(4-ethoxybutylamino)-2-[methyl(2-methylpropyl)amino]ethanol
CID 155034840
ethane;N-ethyl-N-methylethanamine;propane
CID 170620045
2-N-ethyl-1-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62040549
1-(ethylamino)ethanol;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 175145973
2-N-(cyclopropylmethyl)-1-N-ethyl-1-N-methylbutane-1,2-diamine
CID 167503112
ethane;N-ethyl-2-methoxy-N-methylpropan-1-amine
CID 145315880

Frequently Asked Questions

What is the IUPAC name of ethane;1-(ethylamino)-2-[ethyl(methyl)amino]ethanol?
The IUPAC name of ethane;1-(ethylamino)-2-[ethyl(methyl)amino]ethanol (CID 142873748) is ethane;1-(ethylamino)-2-[ethyl(methyl)amino]ethanol.
What is the SMILES notation for ethane;1-(ethylamino)-2-[ethyl(methyl)amino]ethanol?
The canonical SMILES for ethane;1-(ethylamino)-2-[ethyl(methyl)amino]ethanol is CC.CCNC(O)CN(C)CC.
What is the InChIKey of ethane;1-(ethylamino)-2-[ethyl(methyl)amino]ethanol?
The InChIKey is AEBHRFOSTBBXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O.C2H6/c1-4-8-7(10)6-9(3)5-2;1-2/h7-8,10H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(ethylamino)-2-[ethyl(methyl)amino]ethanol?
ethane;1-(ethylamino)-2-[ethyl(methyl)amino]ethanol has a molecular weight of 176.30 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(ethylamino)-2-[ethyl(methyl)amino]ethanol is sourced from PubChem (CID 142873748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).