4-methyl-N-propyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine

C17H35NO — CID 114624231

IUPAC4-methyl-N-propyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine
SMILESCCCNC(C)CC(C)(C)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H35NO/c1-9-10-18-13(2)11-15(3,4)14-12-16(5,6)19-17(14,7)8/h13-14,18H,9-12H2,1-8H3
InChIKeyXLDZKSSHXBOCMD-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.38
Rot. Bonds6

About 4-methyl-N-propyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine

4-methyl-N-propyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine (PubChem CID 114624231) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 4-methyl-N-propyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-propyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine
PubChem CID114624231
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name4-methyl-N-propyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine
SMILESCCCNC(C)CC(C)(C)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H35NO/c1-9-10-18-13(2)11-15(3,4)14-12-16(5,6)19-17(14,7)8/h13-14,18H,9-12H2,1-8H3
InChIKeyXLDZKSSHXBOCMD-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine?
The IUPAC name of 4-methyl-N-propyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine (CID 114624231) is 4-methyl-N-propyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine.
What is the SMILES notation for 4-methyl-N-propyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine?
The canonical SMILES for 4-methyl-N-propyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine is CCCNC(C)CC(C)(C)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 4-methyl-N-propyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine?
The InChIKey is XLDZKSSHXBOCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-9-10-18-13(2)11-15(3,4)14-12-16(5,6)19-17(14,7)8/h13-14,18H,9-12H2,1-8H3.
What are the key properties of 4-methyl-N-propyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine?
4-methyl-N-propyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine has a molecular weight of 269.47 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine is sourced from PubChem (CID 114624231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).