3,3-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine

C14H29N3O — CID 63171723

IUPAC3,3-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine
SMILESCC(C)(C)C(CN)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H29N3O/c1-14(2,3)13(10-15)17-5-4-12(11-17)16-6-8-18-9-7-16/h12-13H,4-11,15H2,1-3H3
InChIKeyIHUSSSZVEYLBSE-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.77
Rot. Bonds3

About 3,3-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine

3,3-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine (PubChem CID 63171723) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3,3-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine
PubChem CID63171723
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3,3-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine
SMILESCC(C)(C)C(CN)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H29N3O/c1-14(2,3)13(10-15)17-5-4-12(11-17)16-6-8-18-9-7-16/h12-13H,4-11,15H2,1-3H3
InChIKeyIHUSSSZVEYLBSE-UHFFFAOYSA-N
XLogP0.77
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine (CID 63171723) is 3,3-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine is CC(C)(C)C(CN)N1CCC(N2CCOCC2)C1.
What is the InChIKey of 3,3-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine?
The InChIKey is IHUSSSZVEYLBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-14(2,3)13(10-15)17-5-4-12(11-17)16-6-8-18-9-7-16/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 3,3-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine?
3,3-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine has a molecular weight of 255.41 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine is sourced from PubChem (CID 63171723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).