4-amino-3-[butan-2-yl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one

C14H29N3O — CID 66432111

IUPAC4-amino-3-[butan-2-yl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
SMILESCCC(C)N(CC)C(CN)CC(=O)N1CCCC1
InChIInChI=1S/C14H29N3O/c1-4-12(3)17(5-2)13(11-15)10-14(18)16-8-6-7-9-16/h12-13H,4-11,15H2,1-3H3
InChIKeyOXGYXMULAYYFMM-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.45
Rot. Bonds7

About 4-amino-3-[butan-2-yl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one

4-amino-3-[butan-2-yl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 66432111) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-amino-3-[butan-2-yl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-amino-3-[butan-2-yl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
PubChem CID66432111
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-amino-3-[butan-2-yl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
SMILESCCC(C)N(CC)C(CN)CC(=O)N1CCCC1
InChIInChI=1S/C14H29N3O/c1-4-12(3)17(5-2)13(11-15)10-14(18)16-8-6-7-9-16/h12-13H,4-11,15H2,1-3H3
InChIKeyOXGYXMULAYYFMM-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-(diethylamino)-1-piperidin-1-ylbutan-1-one
CID 66432336
4-amino-3-[methyl(propan-2-yl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432922
4-amino-3-(dimethylamino)-1-piperidin-1-ylbutan-1-one
CID 66430292
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
3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one
CID 81070854
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855
4-amino-3-[cycloheptyl(methyl)amino]-1-piperidin-1-ylbutan-1-one
CID 66430294
4-amino-3-[butan-2-yl(ethyl)amino]-N-ethylbutanamide
CID 66428428
(3R)-3-methyl-1-piperidin-1-ylpentan-1-one
CID 174011715
(3R)-3-amino-1-piperidin-1-ylbutan-1-one
CID 59102647
3-(butan-2-ylamino)-1-pyrrolidin-1-ylbutan-1-one
CID 170295509

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[butan-2-yl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 4-amino-3-[butan-2-yl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one (CID 66432111) is 4-amino-3-[butan-2-yl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 4-amino-3-[butan-2-yl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 4-amino-3-[butan-2-yl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one is CCC(C)N(CC)C(CN)CC(=O)N1CCCC1.
What is the InChIKey of 4-amino-3-[butan-2-yl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is OXGYXMULAYYFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-12(3)17(5-2)13(11-15)10-14(18)16-8-6-7-9-16/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 4-amino-3-[butan-2-yl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one?
4-amino-3-[butan-2-yl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 255.41 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[butan-2-yl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 66432111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).