N-(1-cyclopropylethyl)-2,2-dimethyl-1,3-benzodioxol-5-amine

C14H19NO2 — CID 43676320

IUPACN-(1-cyclopropylethyl)-2,2-dimethyl-1,3-benzodioxol-5-amine
SMILESCC(Nc1ccc2c(c1)OC(C)(C)O2)C1CC1
InChIInChI=1S/C14H19NO2/c1-9(10-4-5-10)15-11-6-7-12-13(8-11)17-14(2,3)16-12/h6-10,15H,4-5H2,1-3H3
InChIKeyUOCXBAIPCBDASV-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.40
Rot. Bonds3

About N-(1-cyclopropylethyl)-2,2-dimethyl-1,3-benzodioxol-5-amine

N-(1-cyclopropylethyl)-2,2-dimethyl-1,3-benzodioxol-5-amine (PubChem CID 43676320) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2,2-dimethyl-1,3-benzodioxol-5-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2,2-dimethyl-1,3-benzodioxol-5-amine
PubChem CID43676320
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(1-cyclopropylethyl)-2,2-dimethyl-1,3-benzodioxol-5-amine
SMILESCC(Nc1ccc2c(c1)OC(C)(C)O2)C1CC1
InChIInChI=1S/C14H19NO2/c1-9(10-4-5-10)15-11-6-7-12-13(8-11)17-14(2,3)16-12/h6-10,15H,4-5H2,1-3H3
InChIKeyUOCXBAIPCBDASV-UHFFFAOYSA-N
XLogP3.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-(3-methylpentan-2-yl)-1,3-benzodioxol-5-amine
CID 43676206
2,2-dimethyl-N-pentan-2-yl-1,3-benzodioxol-5-amine
CID 43676303
N-(cyclopropylmethyl)-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 43676340
N-[1-(furan-2-yl)ethyl]-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 43676321
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 43676207
2-[1-[(2,2-dimethyl-1,3-benzodioxol-5-yl)amino]ethyl]phenol
CID 43676333
2,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)-1,3-benzodioxol-5-amine
CID 64630328
3,4-dichloro-N-(1-cyclopropylethyl)aniline
CID 43110972
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 63751921
2,2-dimethyl-N-nonan-2-yl-1,3-benzodioxol-5-amine
CID 43676290
2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzodioxol-5-amine
CID 106757117
N-(2,2-dimethyl-1,3-dioxan-5-yl)-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 106658230

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2,2-dimethyl-1,3-benzodioxol-5-amine?
The IUPAC name of N-(1-cyclopropylethyl)-2,2-dimethyl-1,3-benzodioxol-5-amine (CID 43676320) is N-(1-cyclopropylethyl)-2,2-dimethyl-1,3-benzodioxol-5-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-2,2-dimethyl-1,3-benzodioxol-5-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-2,2-dimethyl-1,3-benzodioxol-5-amine is CC(Nc1ccc2c(c1)OC(C)(C)O2)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2,2-dimethyl-1,3-benzodioxol-5-amine?
The InChIKey is UOCXBAIPCBDASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(10-4-5-10)15-11-6-7-12-13(8-11)17-14(2,3)16-12/h6-10,15H,4-5H2,1-3H3.
What are the key properties of N-(1-cyclopropylethyl)-2,2-dimethyl-1,3-benzodioxol-5-amine?
N-(1-cyclopropylethyl)-2,2-dimethyl-1,3-benzodioxol-5-amine has a molecular weight of 233.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2,2-dimethyl-1,3-benzodioxol-5-amine is sourced from PubChem (CID 43676320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).