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

C16H32N2O — CID 79056741

IUPACN-ethyl-3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine
SMILESCCNC(CC1CCOCC1)C(C)(C)N1CCCC1
InChIInChI=1S/C16H32N2O/c1-4-17-15(13-14-7-11-19-12-8-14)16(2,3)18-9-5-6-10-18/h14-15,17H,4-13H2,1-3H3
InChIKeyDJTHJLPLDVBJMJ-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds6

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

N-ethyl-3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine (PubChem CID 79056741) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine
PubChem CID79056741
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-ethyl-3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine
SMILESCCNC(CC1CCOCC1)C(C)(C)N1CCCC1
InChIInChI=1S/C16H32N2O/c1-4-17-15(13-14-7-11-19-12-8-14)16(2,3)18-9-5-6-10-18/h14-15,17H,4-13H2,1-3H3
InChIKeyDJTHJLPLDVBJMJ-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79056065
N,3-dimethyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine
CID 79055647
3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine
CID 79051842
3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine
CID 79056544
1-cyclopentyl-N-ethyl-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79069589
3-methyl-3-morpholin-4-yl-1-(oxan-4-yl)butan-2-ol
CID 79044827
(1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-yl)hydrazine
CID 105239761
[3-(azepan-1-yl)-1-cyclobutyl-3-methylbutan-2-yl]hydrazine
CID 105240360
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
1-cyclopentyl-N-ethyl-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 79052377
4-(azepan-1-yl)-N-ethyl-4-methyl-1-(oxolan-2-yl)pentan-3-amine
CID 79050801

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine?
The IUPAC name of N-ethyl-3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine (CID 79056741) is N-ethyl-3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine is CCNC(CC1CCOCC1)C(C)(C)N1CCCC1.
What is the InChIKey of N-ethyl-3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine?
The InChIKey is DJTHJLPLDVBJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-17-15(13-14-7-11-19-12-8-14)16(2,3)18-9-5-6-10-18/h14-15,17H,4-13H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine?
N-ethyl-3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine is sourced from PubChem (CID 79056741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).