N-methyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine

C13H25NO2 — CID 104993527

IUPACN-methyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCO1)C1CCC(C)O1
InChIInChI=1S/C13H25NO2/c1-10-5-8-13(16-10)12(14-2)7-6-11-4-3-9-15-11/h10-14H,3-9H2,1-2H3
InChIKeyRQLDGYUOYUSWFB-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.10
Rot. Bonds5

About N-methyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine

N-methyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 104993527) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-methyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID104993527
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-methyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCO1)C1CCC(C)O1
InChIInChI=1S/C13H25NO2/c1-10-5-8-13(16-10)12(14-2)7-6-11-4-3-9-15-11/h10-14H,3-9H2,1-2H3
InChIKeyRQLDGYUOYUSWFB-UHFFFAOYSA-N
XLogP2.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104993666
3-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)propan-1-amine
CID 104994767
1-(5-methyloxolan-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993230
N-methyl-1-(2-methyloxolan-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104993513
N-methyl-1-(3-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine
CID 65164399
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 113383516
N,4-dimethyl-1-(oxolan-2-yl)pentan-3-amine
CID 62549646
1-cyclobutyl-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65164623
1-(4-ethylcyclohexyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 104991042
N-methyl-1-(1-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine
CID 106830218
[1-cycloheptyl-3-(oxolan-2-yl)propyl]hydrazine
CID 105231964
N-methyl-1-(3-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-amine
CID 65413363

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of N-methyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine (CID 104993527) is N-methyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine is CNC(CCC1CCCO1)C1CCC(C)O1.
What is the InChIKey of N-methyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is RQLDGYUOYUSWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10-5-8-13(16-10)12(14-2)7-6-11-4-3-9-15-11/h10-14H,3-9H2,1-2H3.
What are the key properties of N-methyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine?
N-methyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 104993527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).