3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine

C14H28N2O — CID 79056544

IUPAC3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine
SMILESCC(C)(C(N)CC1CCOCC1)N1CCCC1
InChIInChI=1S/C14H28N2O/c1-14(2,16-7-3-4-8-16)13(15)11-12-5-9-17-10-6-12/h12-13H,3-11,15H2,1-2H3
InChIKeyHXTSYYJYVGEXRL-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.00
Rot. Bonds4

About 3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine

3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine (PubChem CID 79056544) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine.

Molecular Properties

Compound Name3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine
PubChem CID79056544
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine
SMILESCC(C)(C(N)CC1CCOCC1)N1CCCC1
InChIInChI=1S/C14H28N2O/c1-14(2,16-7-3-4-8-16)13(15)11-12-5-9-17-10-6-12/h12-13H,3-11,15H2,1-2H3
InChIKeyHXTSYYJYVGEXRL-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79055721
N,3-dimethyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine
CID 79055647
2-methyl-1-(oxan-4-yl)-2-piperidin-1-ylpropan-1-amine
CID 79045089
N-ethyl-3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine
CID 79056741
3-methyl-3-morpholin-4-yl-1-(oxan-4-yl)butan-2-ol
CID 79044827
3-N,3-N-diethyl-3-methyl-1-(oxan-4-yl)pentane-2,3-diamine
CID 79064633
1-cyclopropyl-3-methyl-3-piperidin-1-ylpentan-2-amine
CID 79064843
4-methyl-1-(oxolan-2-yl)-4-piperidin-1-ylpentan-3-amine
CID 79044940
(2S)-1-(oxan-4-yl)propan-2-amine
CID 94422387
1-(oxan-4-yl)propan-2-amine
CID 21054632
1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 79044925
(1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-yl)hydrazine
CID 105239761

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine?
The IUPAC name of 3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine (CID 79056544) is 3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine.
What is the SMILES notation for 3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine?
The canonical SMILES for 3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine is CC(C)(C(N)CC1CCOCC1)N1CCCC1.
What is the InChIKey of 3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine?
The InChIKey is HXTSYYJYVGEXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(2,16-7-3-4-8-16)13(15)11-12-5-9-17-10-6-12/h12-13H,3-11,15H2,1-2H3.
What are the key properties of 3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine?
3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine has a molecular weight of 240.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine is sourced from PubChem (CID 79056544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).