N-methyl-4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-1-amine

C13H25NO2 — CID 65330358

IUPACN-methyl-4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-1-amine
SMILESCNC(CCCC1CCCO1)C1CCOC1
InChIInChI=1S/C13H25NO2/c1-14-13(11-7-9-15-10-11)6-2-4-12-5-3-8-16-12/h11-14H,2-10H2,1H3
InChIKeyVPXRHHAGGQZLSE-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.96
Rot. Bonds6

About N-methyl-4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-1-amine

N-methyl-4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-1-amine (PubChem CID 65330358) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-methyl-4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-1-amine
PubChem CID65330358
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-methyl-4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-1-amine
SMILESCNC(CCCC1CCCO1)C1CCOC1
InChIInChI=1S/C13H25NO2/c1-14-13(11-7-9-15-10-11)6-2-4-12-5-3-8-16-12/h11-14H,2-10H2,1H3
InChIKeyVPXRHHAGGQZLSE-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65164623
N-methyl-1-(3-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-amine
CID 65413363
1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65333769
N-methyl-1-(oxolan-3-yl)-2-(oxolan-2-ylmethoxy)ethanamine
CID 104748716
3-(oxan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine
CID 115856676
1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65410695
N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine
CID 63564188
N,5,6-trimethyl-1-(oxolan-2-yl)heptan-4-amine
CID 104993166
4-ethylsulfonyl-N-methyl-1-(oxan-3-yl)butan-1-amine
CID 65332408
N-methyl-1-(3-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine
CID 65164399
1-cyclohexyl-1-methoxy-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 116771534
N,4,4-trimethyl-1-(oxan-3-yl)pentan-1-amine
CID 65332134

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-1-amine?
The IUPAC name of N-methyl-4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-1-amine (CID 65330358) is N-methyl-4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-1-amine.
What is the SMILES notation for N-methyl-4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-1-amine?
The canonical SMILES for N-methyl-4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-1-amine is CNC(CCCC1CCCO1)C1CCOC1.
What is the InChIKey of N-methyl-4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-1-amine?
The InChIKey is VPXRHHAGGQZLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-14-13(11-7-9-15-10-11)6-2-4-12-5-3-8-16-12/h11-14H,2-10H2,1H3.
What are the key properties of N-methyl-4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-1-amine?
N-methyl-4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-1-amine is sourced from PubChem (CID 65330358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).