ethane;ethanol;methane;2-(methylamino)butan-1-ol;pentane

C15H41NO2 — CID 143378994

IUPACethane;ethanol;methane;2-(methylamino)butan-1-ol;pentane
SMILESC.CC.CCC(CO)NC.CCCCC.CCO
InChIInChI=1S/C5H13NO.C5H12.C2H6O.C2H6.CH4/c1-3-5(4-7)6-2;1-3-5-4-2;1-2-3;1-2;/h5-7H,3-4H2,1-2H3;3-5H2,1-2H3;3H,2H2,1H3;1-2H3;1H4
InChIKeyROBLXVGTQJJLCZ-UHFFFAOYSA-N
MW267.50 g/mol
LogP3.83
Rot. Bonds5

About ethane;ethanol;methane;2-(methylamino)butan-1-ol;pentane

ethane;ethanol;methane;2-(methylamino)butan-1-ol;pentane (PubChem CID 143378994) has the molecular formula C15H41NO2 and a molecular weight of 267.50 g/mol. Its IUPAC name is ethane;ethanol;methane;2-(methylamino)butan-1-ol;pentane.

Molecular Properties

Compound Nameethane;ethanol;methane;2-(methylamino)butan-1-ol;pentane
PubChem CID143378994
Molecular FormulaC15H41NO2
Molecular Weight267.50 g/mol
Exact Mass267.31
IUPAC Nameethane;ethanol;methane;2-(methylamino)butan-1-ol;pentane
SMILESC.CC.CCC(CO)NC.CCCCC.CCO
InChIInChI=1S/C5H13NO.C5H12.C2H6O.C2H6.CH4/c1-3-5(4-7)6-2;1-3-5-4-2;1-2-3;1-2;/h5-7H,3-4H2,1-2H3;3-5H2,1-2H3;3H,2H2,1H3;1-2H3;1H4
InChIKeyROBLXVGTQJJLCZ-UHFFFAOYSA-N
XLogP3.83
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.50
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Ethambutol
CID 14052
(2R)-2-[(2-{[(2R)-1-Hdroxybutan-2-yl]amino}ethyl)amino]butan-1-ol dihydrochloride
CID 3279
Ethambutol, meso-
CID 470072
Ethambutol, (R,R)-
CID 470071
(2S)-2-((2-(((2S)-1-Hydroxypropan-2-yl)amino)ethyl)amino)butan-1-ol
CID 9990101
2-(Methylamino)-1-butanol
CID 119693
(S)-2-((2-(((R)-1-Hydroxypropan-2-yl)amino)ethyl)amino)butan-1-ol
CID 44291041
1-Butanol, 2,2'-(propylenediimino)di-
CID 469930
2-(Ethylamino)butan-1-ol
CID 469952
(2S)-2-[2-[1-(hydroxymethyl)propylamino]ethylamino]butan-1-ol
CID 504259
2-[(1-Ethylpropyl)amino]ethanol
CID 245049
2-(Methylamino)-1-butanol, (S)-
CID 13199111

Frequently Asked Questions

What is the IUPAC name of ethane;ethanol;methane;2-(methylamino)butan-1-ol;pentane?
The IUPAC name of ethane;ethanol;methane;2-(methylamino)butan-1-ol;pentane (CID 143378994) is ethane;ethanol;methane;2-(methylamino)butan-1-ol;pentane.
What is the SMILES notation for ethane;ethanol;methane;2-(methylamino)butan-1-ol;pentane?
The canonical SMILES for ethane;ethanol;methane;2-(methylamino)butan-1-ol;pentane is C.CC.CCC(CO)NC.CCCCC.CCO.
What is the InChIKey of ethane;ethanol;methane;2-(methylamino)butan-1-ol;pentane?
The InChIKey is ROBLXVGTQJJLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO.C5H12.C2H6O.C2H6.CH4/c1-3-5(4-7)6-2;1-3-5-4-2;1-2-3;1-2;/h5-7H,3-4H2,1-2H3;3-5H2,1-2H3;3H,2H2,1H3;1-2H3;1H4.
What are the key properties of ethane;ethanol;methane;2-(methylamino)butan-1-ol;pentane?
ethane;ethanol;methane;2-(methylamino)butan-1-ol;pentane has a molecular weight of 267.50 g/mol, XLogP of 3.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethanol;methane;2-(methylamino)butan-1-ol;pentane is sourced from PubChem (CID 143378994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).