N,3-dimethyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine

C15H30N2O — CID 79055647

IUPACN,3-dimethyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine
SMILESCNC(CC1CCOCC1)C(C)(C)N1CCCC1
InChIInChI=1S/C15H30N2O/c1-15(2,17-8-4-5-9-17)14(16-3)12-13-6-10-18-11-7-13/h13-14,16H,4-12H2,1-3H3
InChIKeyLYMXDRGMJSCAQK-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds5

About N,3-dimethyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine

N,3-dimethyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine (PubChem CID 79055647) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N,3-dimethyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine
PubChem CID79055647
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN,3-dimethyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine
SMILESCNC(CC1CCOCC1)C(C)(C)N1CCCC1
InChIInChI=1S/C15H30N2O/c1-15(2,17-8-4-5-9-17)14(16-3)12-13-6-10-18-11-7-13/h13-14,16H,4-12H2,1-3H3
InChIKeyLYMXDRGMJSCAQK-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-1-yl)-1-cyclobutyl-N,3-dimethylbutan-2-amine
CID 79050954
1-cyclopentyl-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine
CID 79045410
N-ethyl-3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine
CID 79056741
3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine
CID 79056544
3-methyl-3-morpholin-4-yl-1-(oxan-4-yl)butan-2-ol
CID 79044827
[3-(azepan-1-yl)-1-cyclobutyl-3-methylbutan-2-yl]hydrazine
CID 105240360
(1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-yl)hydrazine
CID 105239761
1-cyclopentyl-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79056065
3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine
CID 79051842
1-cyclobutyl-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79067520
3-(azepan-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine
CID 79561099
N,2-dimethyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069344

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine?
The IUPAC name of N,3-dimethyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine (CID 79055647) is N,3-dimethyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine.
What is the SMILES notation for N,3-dimethyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine?
The canonical SMILES for N,3-dimethyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine is CNC(CC1CCOCC1)C(C)(C)N1CCCC1.
What is the InChIKey of N,3-dimethyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine?
The InChIKey is LYMXDRGMJSCAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-15(2,17-8-4-5-9-17)14(16-3)12-13-6-10-18-11-7-13/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N,3-dimethyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine?
N,3-dimethyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine is sourced from PubChem (CID 79055647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).