1-(5-methyloxolan-2-yl)-N-propylpropan-1-amine

C11H23NO — CID 114979569

IUPAC1-(5-methyloxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)C1CCC(C)O1
InChIInChI=1S/C11H23NO/c1-4-8-12-10(5-2)11-7-6-9(3)13-11/h9-12H,4-8H2,1-3H3
InChIKeyTXBAWIRVPFDGAZ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.33
Rot. Bonds5

About 1-(5-methyloxolan-2-yl)-N-propylpropan-1-amine

1-(5-methyloxolan-2-yl)-N-propylpropan-1-amine (PubChem CID 114979569) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(5-methyloxolan-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-methyloxolan-2-yl)-N-propylpropan-1-amine
PubChem CID114979569
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(5-methyloxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)C1CCC(C)O1
InChIInChI=1S/C11H23NO/c1-4-8-12-10(5-2)11-7-6-9(3)13-11/h9-12H,4-8H2,1-3H3
InChIKeyTXBAWIRVPFDGAZ-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine
CID 115834351
N-[2-cyclohexyl-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115842084
4-methoxy-1-(5-methyloxolan-2-yl)-N-propylbutan-1-amine
CID 105054940
N-[2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115864188
N-[1-(5-methyloxolan-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 115844239
1-(5-methyloxolan-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993230
N-[2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 81330027
N-ethyl-3-methyl-1-(5-methyloxolan-2-yl)pentan-1-amine
CID 115846266
N-[2-(1,3-diethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 105001653
N-[2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115840490
N-[1-(5-methyloxolan-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 104999639
N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 105000367

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyloxolan-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(5-methyloxolan-2-yl)-N-propylpropan-1-amine (CID 114979569) is 1-(5-methyloxolan-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-methyloxolan-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-methyloxolan-2-yl)-N-propylpropan-1-amine is CCCNC(CC)C1CCC(C)O1.
What is the InChIKey of 1-(5-methyloxolan-2-yl)-N-propylpropan-1-amine?
The InChIKey is TXBAWIRVPFDGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-8-12-10(5-2)11-7-6-9(3)13-11/h9-12H,4-8H2,1-3H3.
What are the key properties of 1-(5-methyloxolan-2-yl)-N-propylpropan-1-amine?
1-(5-methyloxolan-2-yl)-N-propylpropan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyloxolan-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 114979569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).