1-(5-methyloxolan-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine

C16H31NO2 — CID 104993230

IUPAC1-(5-methyloxolan-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCC1CCCO1)C1CCC(C)O1
InChIInChI=1S/C16H31NO2/c1-3-11-17-15(16-10-9-13(2)19-16)8-4-6-14-7-5-12-18-14/h13-17H,3-12H2,1-2H3
InChIKeyIOBILMWCYWKUSU-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.27
Rot. Bonds8

About 1-(5-methyloxolan-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine

1-(5-methyloxolan-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine (PubChem CID 104993230) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(5-methyloxolan-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(5-methyloxolan-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
PubChem CID104993230
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-(5-methyloxolan-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCC1CCCO1)C1CCC(C)O1
InChIInChI=1S/C16H31NO2/c1-3-11-17-15(16-10-9-13(2)19-16)8-4-6-14-7-5-12-18-14/h13-17H,3-12H2,1-2H3
InChIKeyIOBILMWCYWKUSU-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine
CID 65328878
N-ethyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104993666
1-(2,2-dimethylcyclopropyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 107004583
N-methyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104993527
1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65333769
4-methoxy-1-(5-methyloxolan-2-yl)-N-propylbutan-1-amine
CID 105054940
4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine
CID 115834351
1-(5-methyloxolan-2-yl)-N-propylpropan-1-amine
CID 114979569
6-(oxolan-2-yl)-3-propan-2-yl-N-propylhexan-2-amine
CID 65162085
5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine
CID 65164347
1-cyclopentyl-5-(oxolan-2-yl)-N-propylpentan-2-amine
CID 104993245
1-(oxolan-2-yl)-N-propylnonan-1-amine
CID 65328476

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyloxolan-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 1-(5-methyloxolan-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine (CID 104993230) is 1-(5-methyloxolan-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 1-(5-methyloxolan-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 1-(5-methyloxolan-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine is CCCNC(CCCC1CCCO1)C1CCC(C)O1.
What is the InChIKey of 1-(5-methyloxolan-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The InChIKey is IOBILMWCYWKUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-3-11-17-15(16-10-9-13(2)19-16)8-4-6-14-7-5-12-18-14/h13-17H,3-12H2,1-2H3.
What are the key properties of 1-(5-methyloxolan-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
1-(5-methyloxolan-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyloxolan-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 104993230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).