N,N-dimethyl-1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)ethane-1,2-diamine

C14H19N3O2 — CID 82500912

IUPACN,N-dimethyl-1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)ethane-1,2-diamine
SMILESCN(C)C(CN)c1cn(C)c2cc3c(cc12)OCO3
InChIInChI=1S/C14H19N3O2/c1-16(2)12(6-15)10-7-17(3)11-5-14-13(4-9(10)11)18-8-19-14/h4-5,7,12H,6,8,15H2,1-3H3
InChIKeyBGGZYMVBEDSGGO-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.47
Rot. Bonds3

About N,N-dimethyl-1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)ethane-1,2-diamine

N,N-dimethyl-1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)ethane-1,2-diamine (PubChem CID 82500912) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N,N-dimethyl-1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)ethane-1,2-diamine
PubChem CID82500912
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN,N-dimethyl-1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)ethane-1,2-diamine
SMILESCN(C)C(CN)c1cn(C)c2cc3c(cc12)OCO3
InChIInChI=1S/C14H19N3O2/c1-16(2)12(6-15)10-7-17(3)11-5-14-13(4-9(10)11)18-8-19-14/h4-5,7,12H,6,8,15H2,1-3H3
InChIKeyBGGZYMVBEDSGGO-UHFFFAOYSA-N
XLogP1.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)ethane-1,2-diamine (CID 82500912) is N,N-dimethyl-1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)ethane-1,2-diamine is CN(C)C(CN)c1cn(C)c2cc3c(cc12)OCO3.
What is the InChIKey of N,N-dimethyl-1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)ethane-1,2-diamine?
The InChIKey is BGGZYMVBEDSGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-16(2)12(6-15)10-7-17(3)11-5-14-13(4-9(10)11)18-8-19-14/h4-5,7,12H,6,8,15H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)ethane-1,2-diamine?
N,N-dimethyl-1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)ethane-1,2-diamine has a molecular weight of 261.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)ethane-1,2-diamine is sourced from PubChem (CID 82500912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).