ethane;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanol

C12H25NO2 — CID 176664343

IUPACethane;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanol
SMILESCC.CC1COCCN1CC1(CO)CC1
InChIInChI=1S/C10H19NO2.C2H6/c1-9-6-13-5-4-11(9)7-10(8-12)2-3-10;1-2/h9,12H,2-8H2,1H3;1-2H3
InChIKeyGHONDUDQSSLYQO-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.51
Rot. Bonds3

About ethane;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanol

ethane;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanol (PubChem CID 176664343) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethane;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Nameethane;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanol
PubChem CID176664343
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethane;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanol
SMILESCC.CC1COCCN1CC1(CO)CC1
InChIInChI=1S/C10H19NO2.C2H6/c1-9-6-13-5-4-11(9)7-10(8-12)2-3-10;1-2/h9,12H,2-8H2,1H3;1-2H3
InChIKeyGHONDUDQSSLYQO-UHFFFAOYSA-N
XLogP1.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(3-methylmorpholin-4-yl)methyl]oxolan-3-yl]methanol
CID 62271661
(3S)-3-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine
CID 170926284
[4-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 55067010
2-[(3S)-3-methylmorpholin-4-yl]ethanol
CID 67078018
2-(3-methylmorpholin-4-yl)ethanol
CID 43542486
N-[[3-[(3-methylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine
CID 55243400
4-(3-methylmorpholin-4-yl)butan-1-ol
CID 43542485
N-[[3-[(3-methylmorpholin-4-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63741363
5-(3-methylmorpholin-4-yl)pentan-1-ol
CID 62228408
3-(3-methylmorpholin-4-yl)propanoic acid
CID 43542324
1-[2-(3-methylmorpholin-4-yl)ethyl]cyclopropan-1-amine
CID 131014785
2-[(3-methylmorpholin-4-yl)methyl]prop-2-ene-1-thiol
CID 103073288

Frequently Asked Questions

What is the IUPAC name of ethane;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanol?
The IUPAC name of ethane;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanol (CID 176664343) is ethane;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanol.
What is the SMILES notation for ethane;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanol?
The canonical SMILES for ethane;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanol is CC.CC1COCCN1CC1(CO)CC1.
What is the InChIKey of ethane;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanol?
The InChIKey is GHONDUDQSSLYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C2H6/c1-9-6-13-5-4-11(9)7-10(8-12)2-3-10;1-2/h9,12H,2-8H2,1H3;1-2H3.
What are the key properties of ethane;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanol?
ethane;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanol has a molecular weight of 215.34 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanol is sourced from PubChem (CID 176664343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).