4-(methylamino)-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]butan-1-one

C14H29N3O — CID 119895901

IUPAC4-(methylamino)-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]butan-1-one
SMILESCCCN(C)CC1CCN(C(=O)CCCNC)C1
InChIInChI=1S/C14H29N3O/c1-4-9-16(3)11-13-7-10-17(12-13)14(18)6-5-8-15-2/h13,15H,4-12H2,1-3H3
InChIKeyNSQQHLMXGNDMLT-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.18
Rot. Bonds8

About 4-(methylamino)-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]butan-1-one

4-(methylamino)-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]butan-1-one (PubChem CID 119895901) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-(methylamino)-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(methylamino)-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]butan-1-one
PubChem CID119895901
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-(methylamino)-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]butan-1-one
SMILESCCCN(C)CC1CCN(C(=O)CCCNC)C1
InChIInChI=1S/C14H29N3O/c1-4-9-16(3)11-13-7-10-17(12-13)14(18)6-5-8-15-2/h13,15H,4-12H2,1-3H3
InChIKeyNSQQHLMXGNDMLT-UHFFFAOYSA-N
XLogP1.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-(methylamino)butan-1-one
CID 54874514
3-amino-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]butan-1-one
CID 119895941
4-(methylamino)-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 119892528
5-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-oxo-N,N-dipropylpentanamide
CID 119542393
4-(methylamino)-1-(4-methylpiperidin-1-yl)butan-1-one
CID 60649292
1-(3-hydroxy-4-methylpiperidin-1-yl)-4-(methylamino)butan-1-one
CID 102957222
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119895924
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-(methylamino)butan-1-one
CID 54924244
3-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982909
4-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one
CID 60841501
4-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119806019
(2S)-2-amino-4-methyl-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]pentan-1-one
CID 119895957

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 4-(methylamino)-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]butan-1-one (CID 119895901) is 4-(methylamino)-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 4-(methylamino)-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 4-(methylamino)-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]butan-1-one is CCCN(C)CC1CCN(C(=O)CCCNC)C1.
What is the InChIKey of 4-(methylamino)-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]butan-1-one?
The InChIKey is NSQQHLMXGNDMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-9-16(3)11-13-7-10-17(12-13)14(18)6-5-8-15-2/h13,15H,4-12H2,1-3H3.
What are the key properties of 4-(methylamino)-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]butan-1-one?
4-(methylamino)-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]butan-1-one has a molecular weight of 255.41 g/mol, XLogP of 1.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 119895901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).