[3-[[cyclopropyl(3-methylbutyl)amino]methyl]oxolan-3-yl]methanol

C14H27NO2 — CID 78987452

IUPAC[3-[[cyclopropyl(3-methylbutyl)amino]methyl]oxolan-3-yl]methanol
SMILESCC(C)CCN(CC1(CO)CCOC1)C1CC1
InChIInChI=1S/C14H27NO2/c1-12(2)5-7-15(13-3-4-13)9-14(10-16)6-8-17-11-14/h12-13,16H,3-11H2,1-2H3
InChIKeyNEXJWBVQGMSDNI-UHFFFAOYSA-N
MW241.37 g/mol
LogP1.90
Rot. Bonds7

About [3-[[cyclopropyl(3-methylbutyl)amino]methyl]oxolan-3-yl]methanol

[3-[[cyclopropyl(3-methylbutyl)amino]methyl]oxolan-3-yl]methanol (PubChem CID 78987452) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is [3-[[cyclopropyl(3-methylbutyl)amino]methyl]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[cyclopropyl(3-methylbutyl)amino]methyl]oxolan-3-yl]methanol
PubChem CID78987452
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name[3-[[cyclopropyl(3-methylbutyl)amino]methyl]oxolan-3-yl]methanol
SMILESCC(C)CCN(CC1(CO)CCOC1)C1CC1
InChIInChI=1S/C14H27NO2/c1-12(2)5-7-15(13-3-4-13)9-14(10-16)6-8-17-11-14/h12-13,16H,3-11H2,1-2H3
InChIKeyNEXJWBVQGMSDNI-UHFFFAOYSA-N
XLogP1.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[[cyclopropyl(3-methylbutyl)amino]methyl]oxolan-3-yl]methanol?
The IUPAC name of [3-[[cyclopropyl(3-methylbutyl)amino]methyl]oxolan-3-yl]methanol (CID 78987452) is [3-[[cyclopropyl(3-methylbutyl)amino]methyl]oxolan-3-yl]methanol.
What is the SMILES notation for [3-[[cyclopropyl(3-methylbutyl)amino]methyl]oxolan-3-yl]methanol?
The canonical SMILES for [3-[[cyclopropyl(3-methylbutyl)amino]methyl]oxolan-3-yl]methanol is CC(C)CCN(CC1(CO)CCOC1)C1CC1.
What is the InChIKey of [3-[[cyclopropyl(3-methylbutyl)amino]methyl]oxolan-3-yl]methanol?
The InChIKey is NEXJWBVQGMSDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12(2)5-7-15(13-3-4-13)9-14(10-16)6-8-17-11-14/h12-13,16H,3-11H2,1-2H3.
What are the key properties of [3-[[cyclopropyl(3-methylbutyl)amino]methyl]oxolan-3-yl]methanol?
[3-[[cyclopropyl(3-methylbutyl)amino]methyl]oxolan-3-yl]methanol has a molecular weight of 241.37 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[cyclopropyl(3-methylbutyl)amino]methyl]oxolan-3-yl]methanol is sourced from PubChem (CID 78987452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).