1-cyclopropyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine

C17H24N2O2 — CID 115871623

IUPAC1-cyclopropyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine
SMILESCC1CC(Nc2ccc3c(c2)OC(C)(C)O3)CN1C1CC1
InChIInChI=1S/C17H24N2O2/c1-11-8-13(10-19(11)14-5-6-14)18-12-4-7-15-16(9-12)21-17(2,3)20-15/h4,7,9,11,13-14,18H,5-6,8,10H2,1-3H3
InChIKeyUXRBORGWPWTJLG-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.23
Rot. Bonds3

About 1-cyclopropyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine

1-cyclopropyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine (PubChem CID 115871623) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine
PubChem CID115871623
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-cyclopropyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine
SMILESCC1CC(Nc2ccc3c(c2)OC(C)(C)O3)CN1C1CC1
InChIInChI=1S/C17H24N2O2/c1-11-8-13(10-19(11)14-5-6-14)18-12-4-7-15-16(9-12)21-17(2,3)20-15/h4,7,9,11,13-14,18H,5-6,8,10H2,1-3H3
InChIKeyUXRBORGWPWTJLG-UHFFFAOYSA-N
XLogP3.23
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine
CID 115871509
1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 115871482
N-(2,2-dimethyl-1,3-dioxan-5-yl)-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 106658230
1-cyclopropyl-N-(4-iodophenyl)-5-methylpyrrolidin-3-amine
CID 113491638
N-(3,3-dimethylcyclopentyl)-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 80693397
2-chloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol
CID 107678571
1-cyclopropyl-N-(3-iodophenyl)-5-methylpyrrolidin-3-amine
CID 115871605
N-(1,1-dioxothian-3-yl)-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 63911451
3-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]benzonitrile
CID 115997321
2,6-dichloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol
CID 107679322
1-cyclopropyl-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
CID 115871514
2-[4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenyl]-N-methylacetamide
CID 115871526

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine (CID 115871623) is 1-cyclopropyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine is CC1CC(Nc2ccc3c(c2)OC(C)(C)O3)CN1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine?
The InChIKey is UXRBORGWPWTJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11-8-13(10-19(11)14-5-6-14)18-12-4-7-15-16(9-12)21-17(2,3)20-15/h4,7,9,11,13-14,18H,5-6,8,10H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine?
1-cyclopropyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine has a molecular weight of 288.39 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine is sourced from PubChem (CID 115871623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).