[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-propylpyrrolidin-3-yl)methanone

C15H29N3O — CID 81463819

IUPAC[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-propylpyrrolidin-3-yl)methanone
SMILESCCCC1(C(=O)N2CC(C)C(N(C)C)C2)CCNC1
InChIInChI=1S/C15H29N3O/c1-5-6-15(7-8-16-11-15)14(19)18-9-12(2)13(10-18)17(3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyBJTULJHLUJWYSS-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.17
Rot. Bonds4

About [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-propylpyrrolidin-3-yl)methanone

[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-propylpyrrolidin-3-yl)methanone (PubChem CID 81463819) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-propylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-propylpyrrolidin-3-yl)methanone
PubChem CID81463819
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-propylpyrrolidin-3-yl)methanone
SMILESCCCC1(C(=O)N2CC(C)C(N(C)C)C2)CCNC1
InChIInChI=1S/C15H29N3O/c1-5-6-15(7-8-16-11-15)14(19)18-9-12(2)13(10-18)17(3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyBJTULJHLUJWYSS-UHFFFAOYSA-N
XLogP1.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-propylpiperidin-4-yl)methanone
CID 81465453
1-(3-propylpyrrolidine-3-carbonyl)azetidine-3-carboxylic acid
CID 79308921
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-propylpyrrolidin-3-yl)methanone
CID 102932553
piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone
CID 63139032
(3,5-dimethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63132443
(3-methoxypyrrolidin-1-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 103532913
1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 63141064
N-methyl-N-[(2-methylcyclopropyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63866435
8-oxa-3-azabicyclo[3.2.1]octan-3-yl-(3-propylpiperidin-3-yl)methanone
CID 66369459
(4-methylazepan-1-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 63626147
(2-methyl-1,4-oxazepan-4-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 63142267
(4-hydroxy-3-methylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 114678344

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-propylpyrrolidin-3-yl)methanone?
The IUPAC name of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-propylpyrrolidin-3-yl)methanone (CID 81463819) is [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-propylpyrrolidin-3-yl)methanone.
What is the SMILES notation for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-propylpyrrolidin-3-yl)methanone?
The canonical SMILES for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-propylpyrrolidin-3-yl)methanone is CCCC1(C(=O)N2CC(C)C(N(C)C)C2)CCNC1.
What is the InChIKey of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-propylpyrrolidin-3-yl)methanone?
The InChIKey is BJTULJHLUJWYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-5-6-15(7-8-16-11-15)14(19)18-9-12(2)13(10-18)17(3)4/h12-13,16H,5-11H2,1-4H3.
What are the key properties of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-propylpyrrolidin-3-yl)methanone?
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-propylpyrrolidin-3-yl)methanone has a molecular weight of 267.42 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-propylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 81463819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).