4-amino-3-[methyl(propan-2-yl)amino]-1-pyrrolidin-1-ylbutan-1-one

C12H25N3O — CID 66432922

IUPAC4-amino-3-[methyl(propan-2-yl)amino]-1-pyrrolidin-1-ylbutan-1-one
SMILESCC(C)N(C)C(CN)CC(=O)N1CCCC1
InChIInChI=1S/C12H25N3O/c1-10(2)14(3)11(9-13)8-12(16)15-6-4-5-7-15/h10-11H,4-9,13H2,1-3H3
InChIKeyAMEHNCYQDBZWQP-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.67
Rot. Bonds5

About 4-amino-3-[methyl(propan-2-yl)amino]-1-pyrrolidin-1-ylbutan-1-one

4-amino-3-[methyl(propan-2-yl)amino]-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 66432922) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-amino-3-[methyl(propan-2-yl)amino]-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-amino-3-[methyl(propan-2-yl)amino]-1-pyrrolidin-1-ylbutan-1-one
PubChem CID66432922
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-amino-3-[methyl(propan-2-yl)amino]-1-pyrrolidin-1-ylbutan-1-one
SMILESCC(C)N(C)C(CN)CC(=O)N1CCCC1
InChIInChI=1S/C12H25N3O/c1-10(2)14(3)11(9-13)8-12(16)15-6-4-5-7-15/h10-11H,4-9,13H2,1-3H3
InChIKeyAMEHNCYQDBZWQP-UHFFFAOYSA-N
XLogP0.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-(dimethylamino)-1-piperidin-1-ylbutan-1-one
CID 66430292
4-amino-3-[butan-2-yl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432111
4-amino-3-(diethylamino)-1-piperidin-1-ylbutan-1-one
CID 66432336
4-amino-3-[methyl(1-thiophen-2-ylethyl)amino]-1-piperidin-1-ylbutan-1-one
CID 66432546
4-amino-3-[cycloheptyl(methyl)amino]-1-piperidin-1-ylbutan-1-one
CID 66430294
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855
4-amino-3-[butyl(ethyl)amino]-1-piperidin-1-ylbutan-1-one
CID 66430497
4-amino-3-[cyclopropylmethyl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66430078
(3R)-3-amino-1-piperidin-1-ylbutan-1-one
CID 59102647
3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one
CID 81070854
4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-piperidin-1-ylbutan-1-one
CID 66432134
4-amino-3-[methyl(oxan-3-ylmethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432936

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[methyl(propan-2-yl)amino]-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 4-amino-3-[methyl(propan-2-yl)amino]-1-pyrrolidin-1-ylbutan-1-one (CID 66432922) is 4-amino-3-[methyl(propan-2-yl)amino]-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 4-amino-3-[methyl(propan-2-yl)amino]-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 4-amino-3-[methyl(propan-2-yl)amino]-1-pyrrolidin-1-ylbutan-1-one is CC(C)N(C)C(CN)CC(=O)N1CCCC1.
What is the InChIKey of 4-amino-3-[methyl(propan-2-yl)amino]-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is AMEHNCYQDBZWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10(2)14(3)11(9-13)8-12(16)15-6-4-5-7-15/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 4-amino-3-[methyl(propan-2-yl)amino]-1-pyrrolidin-1-ylbutan-1-one?
4-amino-3-[methyl(propan-2-yl)amino]-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 227.35 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[methyl(propan-2-yl)amino]-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 66432922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).