4-amino-3-[cyclopropylmethyl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one

C14H27N3O — CID 66430078

IUPAC4-amino-3-[cyclopropylmethyl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
SMILESCCN(CC1CC1)C(CN)CC(=O)N1CCCC1
InChIInChI=1S/C14H27N3O/c1-2-16(11-12-5-6-12)13(10-15)9-14(18)17-7-3-4-8-17/h12-13H,2-11,15H2,1H3
InChIKeyGMVPTADDFFUEIO-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.06
Rot. Bonds7

About 4-amino-3-[cyclopropylmethyl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one

4-amino-3-[cyclopropylmethyl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 66430078) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-amino-3-[cyclopropylmethyl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-amino-3-[cyclopropylmethyl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
PubChem CID66430078
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-amino-3-[cyclopropylmethyl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
SMILESCCN(CC1CC1)C(CN)CC(=O)N1CCCC1
InChIInChI=1S/C14H27N3O/c1-2-16(11-12-5-6-12)13(10-15)9-14(18)17-7-3-4-8-17/h12-13H,2-11,15H2,1H3
InChIKeyGMVPTADDFFUEIO-UHFFFAOYSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.06
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-[butyl(ethyl)amino]-1-piperidin-1-ylbutan-1-one
CID 66430497
4-amino-3-[cyclopropylmethyl(ethyl)amino]-N-methylbutanamide
CID 66427576
4-amino-N-tert-butyl-3-[cyclopropylmethyl(ethyl)amino]butanamide
CID 66432868
4-amino-3-[butan-2-yl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432111
4-amino-N-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]butanamide
CID 66432647
4-amino-3-(dimethylamino)-1-piperidin-1-ylbutan-1-one
CID 66430292
4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-ethylbutanamide
CID 107397676
4-amino-3-[cycloheptyl(methyl)amino]-1-piperidin-1-ylbutan-1-one
CID 66430294
4-amino-3-[methyl(propan-2-yl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432922
4-amino-3-[methyl(oxan-3-ylmethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432936
3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one
CID 81070854

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[cyclopropylmethyl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 4-amino-3-[cyclopropylmethyl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one (CID 66430078) is 4-amino-3-[cyclopropylmethyl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 4-amino-3-[cyclopropylmethyl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 4-amino-3-[cyclopropylmethyl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one is CCN(CC1CC1)C(CN)CC(=O)N1CCCC1.
What is the InChIKey of 4-amino-3-[cyclopropylmethyl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is GMVPTADDFFUEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-16(11-12-5-6-12)13(10-15)9-14(18)17-7-3-4-8-17/h12-13H,2-11,15H2,1H3.
What are the key properties of 4-amino-3-[cyclopropylmethyl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one?
4-amino-3-[cyclopropylmethyl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 253.39 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[cyclopropylmethyl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 66430078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).