(1-aminocyclopropyl)-[3-(diethylaminomethyl)pyrrolidin-1-yl]methanone

C13H25N3O — CID 119894837

IUPAC(1-aminocyclopropyl)-[3-(diethylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCCN(CC)CC1CCN(C(=O)C2(N)CC2)C1
InChIInChI=1S/C13H25N3O/c1-3-15(4-2)9-11-5-8-16(10-11)12(17)13(14)6-7-13/h11H,3-10,14H2,1-2H3
InChIKeyWKVAFKDLIZUCSB-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.67
Rot. Bonds5

About (1-aminocyclopropyl)-[3-(diethylaminomethyl)pyrrolidin-1-yl]methanone

(1-aminocyclopropyl)-[3-(diethylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 119894837) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (1-aminocyclopropyl)-[3-(diethylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-[3-(diethylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID119894837
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(1-aminocyclopropyl)-[3-(diethylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCCN(CC)CC1CCN(C(=O)C2(N)CC2)C1
InChIInChI=1S/C13H25N3O/c1-3-15(4-2)9-11-5-8-16(10-11)12(17)13(14)6-7-13/h11H,3-10,14H2,1-2H3
InChIKeyWKVAFKDLIZUCSB-UHFFFAOYSA-N
XLogP0.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclobutyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 81172457
(1-aminocyclopropyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781887
[3-(diethylaminomethyl)pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119894888
(1-aminocyclopropyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 65466413
(1-aminocyclopropyl)-(4-propylpiperidin-1-yl)methanone
CID 65466440
1-[4-(diethylaminomethyl)piperidin-1-yl]propan-1-one
CID 60776234
(4-aminooxan-4-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 115294891
(1-aminocyclopropyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 65464508
(1-aminocyclobutyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 81172154
[4-(aminomethyl)oxan-4-yl]-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 120939311
2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]pentan-1-one
CID 54874457
3-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]butan-1-one
CID 54874480

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-[3-(diethylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-aminocyclopropyl)-[3-(diethylaminomethyl)pyrrolidin-1-yl]methanone (CID 119894837) is (1-aminocyclopropyl)-[3-(diethylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclopropyl)-[3-(diethylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-aminocyclopropyl)-[3-(diethylaminomethyl)pyrrolidin-1-yl]methanone is CCN(CC)CC1CCN(C(=O)C2(N)CC2)C1.
What is the InChIKey of (1-aminocyclopropyl)-[3-(diethylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is WKVAFKDLIZUCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-15(4-2)9-11-5-8-16(10-11)12(17)13(14)6-7-13/h11H,3-10,14H2,1-2H3.
What are the key properties of (1-aminocyclopropyl)-[3-(diethylaminomethyl)pyrrolidin-1-yl]methanone?
(1-aminocyclopropyl)-[3-(diethylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 239.36 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 (1-aminocyclopropyl)-[3-(diethylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119894837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).