N-[2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)ethyl]-N-propan-2-ylpropan-2-amine

C17H24N2O2 — CID 13141004

IUPACN-[2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCc1c[nH]c2cc3c(cc12)OCO3)C(C)C
InChIInChI=1S/C17H24N2O2/c1-11(2)19(12(3)4)6-5-13-9-18-15-8-17-16(7-14(13)15)20-10-21-17/h7-9,11-12,18H,5-6,10H2,1-4H3
InChIKeyMAICYUOZXYUWMJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.56
Rot. Bonds5

About N-[2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)ethyl]-N-propan-2-ylpropan-2-amine

N-[2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 13141004) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID13141004
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCc1c[nH]c2cc3c(cc12)OCO3)C(C)C
InChIInChI=1S/C17H24N2O2/c1-11(2)19(12(3)4)6-5-13-9-18-15-8-17-16(7-14(13)15)20-10-21-17/h7-9,11-12,18H,5-6,10H2,1-4H3
InChIKeyMAICYUOZXYUWMJ-UHFFFAOYSA-N
XLogP3.56
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)ethyl]-N-propan-2-ylpropan-2-amine (CID 13141004) is N-[2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)ethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(CCc1c[nH]c2cc3c(cc12)OCO3)C(C)C.
What is the InChIKey of N-[2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is MAICYUOZXYUWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11(2)19(12(3)4)6-5-13-9-18-15-8-17-16(7-14(13)15)20-10-21-17/h7-9,11-12,18H,5-6,10H2,1-4H3.
What are the key properties of N-[2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 288.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 13141004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).