1-(5,5-dimethyloxolan-2-yl)-4-methyl-N-propylpentan-3-amine

C15H31NO — CID 116522578

IUPAC1-(5,5-dimethyloxolan-2-yl)-4-methyl-N-propylpentan-3-amine
SMILESCCCNC(CCC1CCC(C)(C)O1)C(C)C
InChIInChI=1S/C15H31NO/c1-6-11-16-14(12(2)3)8-7-13-9-10-15(4,5)17-13/h12-14,16H,6-11H2,1-5H3
InChIKeyLLZUDVHTFNAWIW-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds7

About 1-(5,5-dimethyloxolan-2-yl)-4-methyl-N-propylpentan-3-amine

1-(5,5-dimethyloxolan-2-yl)-4-methyl-N-propylpentan-3-amine (PubChem CID 116522578) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-(5,5-dimethyloxolan-2-yl)-4-methyl-N-propylpentan-3-amine.

Molecular Properties

Compound Name1-(5,5-dimethyloxolan-2-yl)-4-methyl-N-propylpentan-3-amine
PubChem CID116522578
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-(5,5-dimethyloxolan-2-yl)-4-methyl-N-propylpentan-3-amine
SMILESCCCNC(CCC1CCC(C)(C)O1)C(C)C
InChIInChI=1S/C15H31NO/c1-6-11-16-14(12(2)3)8-7-13-9-10-15(4,5)17-13/h12-14,16H,6-11H2,1-5H3
InChIKeyLLZUDVHTFNAWIW-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyloxolan-2-yl)-4-methyl-N-propylpentan-3-amine?
The IUPAC name of 1-(5,5-dimethyloxolan-2-yl)-4-methyl-N-propylpentan-3-amine (CID 116522578) is 1-(5,5-dimethyloxolan-2-yl)-4-methyl-N-propylpentan-3-amine.
What is the SMILES notation for 1-(5,5-dimethyloxolan-2-yl)-4-methyl-N-propylpentan-3-amine?
The canonical SMILES for 1-(5,5-dimethyloxolan-2-yl)-4-methyl-N-propylpentan-3-amine is CCCNC(CCC1CCC(C)(C)O1)C(C)C.
What is the InChIKey of 1-(5,5-dimethyloxolan-2-yl)-4-methyl-N-propylpentan-3-amine?
The InChIKey is LLZUDVHTFNAWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-11-16-14(12(2)3)8-7-13-9-10-15(4,5)17-13/h12-14,16H,6-11H2,1-5H3.
What are the key properties of 1-(5,5-dimethyloxolan-2-yl)-4-methyl-N-propylpentan-3-amine?
1-(5,5-dimethyloxolan-2-yl)-4-methyl-N-propylpentan-3-amine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyloxolan-2-yl)-4-methyl-N-propylpentan-3-amine is sourced from PubChem (CID 116522578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).