ethane-1,2-diol;2-(2-hydroxyethylamino)butan-1-ol;naphthalene

C18H29NO4 — CID 67124964

IUPACethane-1,2-diol;2-(2-hydroxyethylamino)butan-1-ol;naphthalene
SMILESCCC(CO)NCCO.OCCO.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C6H15NO2.C2H6O2/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6(5-9)7-3-4-8;3-1-2-4/h1-8H;6-9H,2-5H2,1H3;3-4H,1-2H2
InChIKeyQQGGQCORWMBZCA-UHFFFAOYSA-N
MW323.43 g/mol
LogP1.15
Rot. Bonds6

About ethane-1,2-diol;2-(2-hydroxyethylamino)butan-1-ol;naphthalene

ethane-1,2-diol;2-(2-hydroxyethylamino)butan-1-ol;naphthalene (PubChem CID 67124964) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is ethane-1,2-diol;2-(2-hydroxyethylamino)butan-1-ol;naphthalene.

Molecular Properties

Compound Nameethane-1,2-diol;2-(2-hydroxyethylamino)butan-1-ol;naphthalene
PubChem CID67124964
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC Nameethane-1,2-diol;2-(2-hydroxyethylamino)butan-1-ol;naphthalene
SMILESCCC(CO)NCCO.OCCO.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C6H15NO2.C2H6O2/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6(5-9)7-3-4-8;3-1-2-4/h1-8H;6-9H,2-5H2,1H3;3-4H,1-2H2
InChIKeyQQGGQCORWMBZCA-UHFFFAOYSA-N
XLogP1.15
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 51.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-phenylethylamino)butan-1-ol
CID 17157372
(2R)-2-(3-phenylpropylamino)butan-1-ol
CID 28724554
(2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol
CID 918808
2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol
CID 15278079
2-[[(3R)-hexan-3-yl]amino]ethanol
CID 27254966
2-[[(3S)-hexan-3-yl]amino]ethanol
CID 27254970
2-(1-naphthalen-2-ylethylamino)butan-1-ol
CID 43207106
ethanol;naphthalene
CID 91408804
(2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol
CID 834361
(2R)-2-[(2-methyl-2-phenylpropyl)amino]butan-1-ol
CID 103924317
2-[(2-methoxynaphthalen-1-yl)methylamino]butan-1-ol
CID 3160564
2-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol
CID 82103012

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;2-(2-hydroxyethylamino)butan-1-ol;naphthalene?
The IUPAC name of ethane-1,2-diol;2-(2-hydroxyethylamino)butan-1-ol;naphthalene (CID 67124964) is ethane-1,2-diol;2-(2-hydroxyethylamino)butan-1-ol;naphthalene.
What is the SMILES notation for ethane-1,2-diol;2-(2-hydroxyethylamino)butan-1-ol;naphthalene?
The canonical SMILES for ethane-1,2-diol;2-(2-hydroxyethylamino)butan-1-ol;naphthalene is CCC(CO)NCCO.OCCO.c1ccc2ccccc2c1.
What is the InChIKey of ethane-1,2-diol;2-(2-hydroxyethylamino)butan-1-ol;naphthalene?
The InChIKey is QQGGQCORWMBZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C6H15NO2.C2H6O2/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6(5-9)7-3-4-8;3-1-2-4/h1-8H;6-9H,2-5H2,1H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;2-(2-hydroxyethylamino)butan-1-ol;naphthalene?
ethane-1,2-diol;2-(2-hydroxyethylamino)butan-1-ol;naphthalene has a molecular weight of 323.43 g/mol, XLogP of 1.15, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;2-(2-hydroxyethylamino)butan-1-ol;naphthalene is sourced from PubChem (CID 67124964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).