2-[cyclopropylmethyl-[(4-methyloxan-4-yl)methyl]amino]ethanol

C13H25NO2 — CID 104585548

IUPAC2-[cyclopropylmethyl-[(4-methyloxan-4-yl)methyl]amino]ethanol
SMILESCC1(CN(CCO)CC2CC2)CCOCC1
InChIInChI=1S/C13H25NO2/c1-13(4-8-16-9-5-13)11-14(6-7-15)10-12-2-3-12/h12,15H,2-11H2,1H3
InChIKeyIKVFLQJEIGARRY-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.51
Rot. Bonds6

About 2-[cyclopropylmethyl-[(4-methyloxan-4-yl)methyl]amino]ethanol

2-[cyclopropylmethyl-[(4-methyloxan-4-yl)methyl]amino]ethanol (PubChem CID 104585548) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(4-methyloxan-4-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(4-methyloxan-4-yl)methyl]amino]ethanol
PubChem CID104585548
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[cyclopropylmethyl-[(4-methyloxan-4-yl)methyl]amino]ethanol
SMILESCC1(CN(CCO)CC2CC2)CCOCC1
InChIInChI=1S/C13H25NO2/c1-13(4-8-16-9-5-13)11-14(6-7-15)10-12-2-3-12/h12,15H,2-11H2,1H3
InChIKeyIKVFLQJEIGARRY-UHFFFAOYSA-N
XLogP1.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-3-yl]methanol
CID 62270932
2-[1-adamantylmethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol
CID 95124796
2-[cyclopentylmethyl(cyclopropylmethyl)amino]ethanol
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2-[2-hydroxyethyl(oxolan-3-ylmethyl)amino]ethanol
CID 62021134
2-[2-hydroxyethyl-[(4-methoxycyclohexyl)methyl]amino]ethanol
CID 138519661
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine
CID 62258482
2-[ethyl-[(4-propylcyclohexyl)methyl]amino]ethanol
CID 90928532
N-(cyclopropylmethyl)-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine
CID 63955479
2-[cyclopropylmethyl-(2-methyl-2-methylsulfonylpropyl)amino]ethanol
CID 115882332
2-[[1-[3-(dimethylamino)propyl]piperidin-4-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 54060629
4-[[bis(2-hydroxyethyl)amino]methyl]oxane-4-carbaldehyde
CID 62391102
[3-[[cyclobutylmethyl(ethyl)amino]methyl]oxolan-3-yl]methanol
CID 107401725

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(4-methyloxan-4-yl)methyl]amino]ethanol?
The IUPAC name of 2-[cyclopropylmethyl-[(4-methyloxan-4-yl)methyl]amino]ethanol (CID 104585548) is 2-[cyclopropylmethyl-[(4-methyloxan-4-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopropylmethyl-[(4-methyloxan-4-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[cyclopropylmethyl-[(4-methyloxan-4-yl)methyl]amino]ethanol is CC1(CN(CCO)CC2CC2)CCOCC1.
What is the InChIKey of 2-[cyclopropylmethyl-[(4-methyloxan-4-yl)methyl]amino]ethanol?
The InChIKey is IKVFLQJEIGARRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(4-8-16-9-5-13)11-14(6-7-15)10-12-2-3-12/h12,15H,2-11H2,1H3.
What are the key properties of 2-[cyclopropylmethyl-[(4-methyloxan-4-yl)methyl]amino]ethanol?
2-[cyclopropylmethyl-[(4-methyloxan-4-yl)methyl]amino]ethanol has a molecular weight of 227.35 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(4-methyloxan-4-yl)methyl]amino]ethanol is sourced from PubChem (CID 104585548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).