N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,3-benzodioxol-5-amine

C14H20N2O2 — CID 115208211

IUPACN,6-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,3-benzodioxol-5-amine
SMILESCc1cc2c(cc1N(C)CC1CCCN1)OCO2
InChIInChI=1S/C14H20N2O2/c1-10-6-13-14(18-9-17-13)7-12(10)16(2)8-11-4-3-5-15-11/h6-7,11,15H,3-5,8-9H2,1-2H3
InChIKeyHXYFCIXYAXCTLV-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.91
Rot. Bonds3

About N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,3-benzodioxol-5-amine

N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,3-benzodioxol-5-amine (PubChem CID 115208211) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,3-benzodioxol-5-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,3-benzodioxol-5-amine
PubChem CID115208211
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN,6-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,3-benzodioxol-5-amine
SMILESCc1cc2c(cc1N(C)CC1CCCN1)OCO2
InChIInChI=1S/C14H20N2O2/c1-10-6-13-14(18-9-17-13)7-12(10)16(2)8-11-4-3-5-15-11/h6-7,11,15H,3-5,8-9H2,1-2H3
InChIKeyHXYFCIXYAXCTLV-UHFFFAOYSA-N
XLogP1.91
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.91
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

N,7-dimethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115208180
N,6-dimethyl-N-(morpholin-3-ylmethyl)-1,3-benzodioxol-5-amine
CID 115237974
N,6-dimethyl-N-(morpholin-2-ylmethyl)-1,3-benzodioxol-5-amine
CID 115237589
N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide
CID 115159245
N-(2-chloroethyl)-N,6-dimethyl-1,3-benzodioxol-5-amine
CID 115214776
2-(1,3-benzodioxol-5-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 115208449
N,4,6-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641961
1-(1,3-benzodioxol-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622998
N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208277
N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641999
N-(azetidin-3-ylmethyl)-N,7-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115207411
2-[(6-fluoro-1,3-benzodioxol-5-yl)methyl]pyrrolidine
CID 117319529

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,3-benzodioxol-5-amine?
The IUPAC name of N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,3-benzodioxol-5-amine (CID 115208211) is N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,3-benzodioxol-5-amine.
What is the SMILES notation for N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,3-benzodioxol-5-amine?
The canonical SMILES for N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,3-benzodioxol-5-amine is Cc1cc2c(cc1N(C)CC1CCCN1)OCO2.
What is the InChIKey of N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,3-benzodioxol-5-amine?
The InChIKey is HXYFCIXYAXCTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-6-13-14(18-9-17-13)7-12(10)16(2)8-11-4-3-5-15-11/h6-7,11,15H,3-5,8-9H2,1-2H3.
What are the key properties of N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,3-benzodioxol-5-amine?
N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,3-benzodioxol-5-amine has a molecular weight of 248.33 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,3-benzodioxol-5-amine is sourced from PubChem (CID 115208211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).