N-(1,3-benzodioxol-4-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine

C15H21NO2 — CID 79357909

IUPACN-(1,3-benzodioxol-4-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCC1(C)C(NCc2cccc3c2OCO3)C1(C)C
InChIInChI=1S/C15H21NO2/c1-14(2)13(15(14,3)4)16-8-10-6-5-7-11-12(10)18-9-17-11/h5-7,13,16H,8-9H2,1-4H3
InChIKeyFSSGYTGCSWSGBB-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.94
Rot. Bonds3

About N-(1,3-benzodioxol-4-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine

N-(1,3-benzodioxol-4-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine (PubChem CID 79357909) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine
PubChem CID79357909
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCC1(C)C(NCc2cccc3c2OCO3)C1(C)C
InChIInChI=1S/C15H21NO2/c1-14(2)13(15(14,3)4)16-8-10-6-5-7-11-12(10)18-9-17-11/h5-7,13,16H,8-9H2,1-4H3
InChIKeyFSSGYTGCSWSGBB-UHFFFAOYSA-N
XLogP2.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-4-ylmethyl)-1-methylcyclopent-3-en-1-amine
CID 167922399
N-(1,3-benzodioxol-4-ylmethyl)cyclopent-3-en-1-amine
CID 115696567
N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylcyclohexan-1-amine
CID 61212459
N-(1,3-benzodioxol-4-ylmethyl)-2-methylcyclohexan-1-amine
CID 43583510
N-(1,3-benzodioxol-4-ylmethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863249
N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylpiperidin-1-amine
CID 83007219
N-(1,3-benzodioxol-4-ylmethyl)oxolan-3-amine
CID 63335644
3-(1,3-benzodioxol-4-ylmethylamino)pyrrolidine-2,5-dione
CID 61211147
N-(1,3-benzodioxol-4-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 60958341
1-(1,3-benzodioxol-4-yl)-N-ethoxymethanamine
CID 82710463
N-(1,3-benzodioxol-4-ylmethyl)-2,6-dichloroaniline
CID 65467779
N-(1,3-benzodioxol-4-ylmethyl)-2,2-diethyloxan-4-amine
CID 82765208

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine (CID 79357909) is N-(1,3-benzodioxol-4-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine is CC1(C)C(NCc2cccc3c2OCO3)C1(C)C.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine?
The InChIKey is FSSGYTGCSWSGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-14(2)13(15(14,3)4)16-8-10-6-5-7-11-12(10)18-9-17-11/h5-7,13,16H,8-9H2,1-4H3.
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine?
N-(1,3-benzodioxol-4-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine is sourced from PubChem (CID 79357909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).