12-methyl-12-propan-2-yl-1,4,7,10-tetraoxa-13-azacyclopentadecane

C14H29NO4 — CID 142531209

IUPAC12-methyl-12-propan-2-yl-1,4,7,10-tetraoxa-13-azacyclopentadecane
SMILESCC(C)C1(C)COCCOCCOCCOCCN1
InChIInChI=1S/C14H29NO4/c1-13(2)14(3)12-19-11-10-18-9-8-17-7-6-16-5-4-15-14/h13,15H,4-12H2,1-3H3
InChIKeyJKSKKKWSWDVSGW-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.07
Rot. Bonds1

About 12-methyl-12-propan-2-yl-1,4,7,10-tetraoxa-13-azacyclopentadecane

12-methyl-12-propan-2-yl-1,4,7,10-tetraoxa-13-azacyclopentadecane (PubChem CID 142531209) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is 12-methyl-12-propan-2-yl-1,4,7,10-tetraoxa-13-azacyclopentadecane.

Molecular Properties

Compound Name12-methyl-12-propan-2-yl-1,4,7,10-tetraoxa-13-azacyclopentadecane
PubChem CID142531209
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Name12-methyl-12-propan-2-yl-1,4,7,10-tetraoxa-13-azacyclopentadecane
SMILESCC(C)C1(C)COCCOCCOCCOCCN1
InChIInChI=1S/C14H29NO4/c1-13(2)14(3)12-19-11-10-18-9-8-17-7-6-16-5-4-15-14/h13,15H,4-12H2,1-3H3
InChIKeyJKSKKKWSWDVSGW-UHFFFAOYSA-N
XLogP1.07
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 12-methyl-12-propan-2-yl-1,4,7,10-tetraoxa-13-azacyclopentadecane?
The IUPAC name of 12-methyl-12-propan-2-yl-1,4,7,10-tetraoxa-13-azacyclopentadecane (CID 142531209) is 12-methyl-12-propan-2-yl-1,4,7,10-tetraoxa-13-azacyclopentadecane.
What is the SMILES notation for 12-methyl-12-propan-2-yl-1,4,7,10-tetraoxa-13-azacyclopentadecane?
The canonical SMILES for 12-methyl-12-propan-2-yl-1,4,7,10-tetraoxa-13-azacyclopentadecane is CC(C)C1(C)COCCOCCOCCOCCN1.
What is the InChIKey of 12-methyl-12-propan-2-yl-1,4,7,10-tetraoxa-13-azacyclopentadecane?
The InChIKey is JKSKKKWSWDVSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4/c1-13(2)14(3)12-19-11-10-18-9-8-17-7-6-16-5-4-15-14/h13,15H,4-12H2,1-3H3.
What are the key properties of 12-methyl-12-propan-2-yl-1,4,7,10-tetraoxa-13-azacyclopentadecane?
12-methyl-12-propan-2-yl-1,4,7,10-tetraoxa-13-azacyclopentadecane has a molecular weight of 275.39 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-12-propan-2-yl-1,4,7,10-tetraoxa-13-azacyclopentadecane is sourced from PubChem (CID 142531209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).