(1-aminocyclopropyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone

C12H22N2O — CID 119781887

IUPAC(1-aminocyclopropyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
SMILESCC(C)CC1CCN(C(=O)C2(N)CC2)C1
InChIInChI=1S/C12H22N2O/c1-9(2)7-10-3-6-14(8-10)11(15)12(13)4-5-12/h9-10H,3-8,13H2,1-2H3
InChIKeyNUMZPIYXOYOKFU-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.37
Rot. Bonds3

About (1-aminocyclopropyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone

(1-aminocyclopropyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone (PubChem CID 119781887) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (1-aminocyclopropyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
PubChem CID119781887
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(1-aminocyclopropyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
SMILESCC(C)CC1CCN(C(=O)C2(N)CC2)C1
InChIInChI=1S/C12H22N2O/c1-9(2)7-10-3-6-14(8-10)11(15)12(13)4-5-12/h9-10H,3-8,13H2,1-2H3
InChIKeyNUMZPIYXOYOKFU-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-aminocyclopropyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone
CID 119807799
(1-aminocyclopropyl)-[3-(diethylaminomethyl)pyrrolidin-1-yl]methanone
CID 119894837
(1-aminocyclopropyl)-(4-propylpiperidin-1-yl)methanone
CID 65466440
(1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 89395545
N-chloro-3-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 168862236
2-amino-1-[3-(2-methylpropyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride
CID 119322626
(1-aminocyclopentyl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
CID 119345338
(1-aminocyclopropyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 65464508
2,2-dimethyl-N-[2-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide
CID 95905898
(3-aminocyclopentyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781901
4-amino-3-methoxy-1-[3-(2-methylpropyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 120592110
2-[1-(1-aminocyclopropanecarbonyl)piperidin-3-yl]acetic acid
CID 65466458

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-aminocyclopropyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone (CID 119781887) is (1-aminocyclopropyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclopropyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-aminocyclopropyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone is CC(C)CC1CCN(C(=O)C2(N)CC2)C1.
What is the InChIKey of (1-aminocyclopropyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone?
The InChIKey is NUMZPIYXOYOKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)7-10-3-6-14(8-10)11(15)12(13)4-5-12/h9-10H,3-8,13H2,1-2H3.
What are the key properties of (1-aminocyclopropyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone?
(1-aminocyclopropyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone has a molecular weight of 210.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119781887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).