2-[(2-ethylazepan-1-yl)methyl]-2-methylpentan-1-ol

C15H31NO — CID 113441966

IUPAC2-[(2-ethylazepan-1-yl)methyl]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)CN1CCCCCC1CC
InChIInChI=1S/C15H31NO/c1-4-10-15(3,13-17)12-16-11-8-6-7-9-14(16)5-2/h14,17H,4-13H2,1-3H3
InChIKeyPEIVHBPOJSZHJT-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.44
Rot. Bonds6

About 2-[(2-ethylazepan-1-yl)methyl]-2-methylpentan-1-ol

2-[(2-ethylazepan-1-yl)methyl]-2-methylpentan-1-ol (PubChem CID 113441966) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-[(2-ethylazepan-1-yl)methyl]-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(2-ethylazepan-1-yl)methyl]-2-methylpentan-1-ol
PubChem CID113441966
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-[(2-ethylazepan-1-yl)methyl]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)CN1CCCCCC1CC
InChIInChI=1S/C15H31NO/c1-4-10-15(3,13-17)12-16-11-8-6-7-9-14(16)5-2/h14,17H,4-13H2,1-3H3
InChIKeyPEIVHBPOJSZHJT-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol
CID 62890251
1-(2-ethylazepan-1-yl)-2-methylpentan-2-amine
CID 104690407
3-(2-ethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol
CID 62271835
2-[(2-ethylazepan-1-yl)methyl]-2-methylpentanal
CID 104691907
2-[(2-ethylpiperidin-1-yl)methyl]-2-methylpentanal
CID 62277726
2-(ethylamino)-3-(2-ethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 64798507
2-(cyclopropylamino)-3-(2-ethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 64796361
3-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol
CID 64790955
2-[1-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]piperidin-2-yl]ethanol
CID 62261558
N-tert-butyl-2-methyl-2-[(2-propylpiperidin-1-yl)methyl]pentan-1-amine
CID 83046317
2-cyclopropyl-3-(2-ethylpiperidin-1-yl)-2-(propylamino)propan-1-ol
CID 64795703
2-amino-6-(2-ethylazepan-1-yl)-2-methylhexan-1-ol
CID 104692730

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylazepan-1-yl)methyl]-2-methylpentan-1-ol?
The IUPAC name of 2-[(2-ethylazepan-1-yl)methyl]-2-methylpentan-1-ol (CID 113441966) is 2-[(2-ethylazepan-1-yl)methyl]-2-methylpentan-1-ol.
What is the SMILES notation for 2-[(2-ethylazepan-1-yl)methyl]-2-methylpentan-1-ol?
The canonical SMILES for 2-[(2-ethylazepan-1-yl)methyl]-2-methylpentan-1-ol is CCCC(C)(CO)CN1CCCCCC1CC.
What is the InChIKey of 2-[(2-ethylazepan-1-yl)methyl]-2-methylpentan-1-ol?
The InChIKey is PEIVHBPOJSZHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-10-15(3,13-17)12-16-11-8-6-7-9-14(16)5-2/h14,17H,4-13H2,1-3H3.
What are the key properties of 2-[(2-ethylazepan-1-yl)methyl]-2-methylpentan-1-ol?
2-[(2-ethylazepan-1-yl)methyl]-2-methylpentan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylazepan-1-yl)methyl]-2-methylpentan-1-ol is sourced from PubChem (CID 113441966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).