N,N-dimethyl-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indol-4-amine

C11H14N2O2 — CID 96617326

IUPACN,N-dimethyl-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indol-4-amine
SMILESCN(C)c1c2c(cc3c1OCO3)CCN2
InChIInChI=1S/C11H14N2O2/c1-13(2)10-9-7(3-4-12-9)5-8-11(10)15-6-14-8/h5,12H,3-4,6H2,1-2H3
InChIKeyWDYDQAKZZXQDTO-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.45
Rot. Bonds1

About N,N-dimethyl-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indol-4-amine

N,N-dimethyl-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indol-4-amine (PubChem CID 96617326) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is N,N-dimethyl-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indol-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indol-4-amine
PubChem CID96617326
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC NameN,N-dimethyl-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indol-4-amine
SMILESCN(C)c1c2c(cc3c1OCO3)CCN2
InChIInChI=1S/C11H14N2O2/c1-13(2)10-9-7(3-4-12-9)5-8-11(10)15-6-14-8/h5,12H,3-4,6H2,1-2H3
InChIKeyWDYDQAKZZXQDTO-UHFFFAOYSA-N
XLogP1.45
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.45
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

16-methoxy-13-(16-methoxy-4-oxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14(19),15,17-heptaen-13-yl)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14(19),15,17-heptaene
CID 171346342
1-(1,3-benzodioxol-4-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine
CID 80648411
N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-1,3-benzodioxole-5-carboxamide
CID 112537481
13,15-dioxa-7-azatetracyclo[8.7.0.02,6.012,16]heptadeca-1(17),2(6),10,12(16)-tetraen-3-one
CID 12861075
5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
CID 27012
7-bromo-5-methyl-2,3-dihydro-1H-indole
CID 16789330
N,N-dimethyl-2,3-dihydro-1H-indol-5-amine
CID 16767807
(5R)-5-(3-methyl-1,2-oxazol-5-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
CID 95857718
3,12,14-trioxa-7-azatetracyclo[8.6.1.05,17.011,15]heptadeca-1(16),10(17),11(15)-triene;hydrochloride
CID 175798218
N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-methylpropanamide
CID 112537467
17,18-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene
CID 163023626
(12S)-spiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexane]-1'-ol
CID 162876092

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indol-4-amine?
The IUPAC name of N,N-dimethyl-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indol-4-amine (CID 96617326) is N,N-dimethyl-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indol-4-amine.
What is the SMILES notation for N,N-dimethyl-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indol-4-amine?
The canonical SMILES for N,N-dimethyl-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indol-4-amine is CN(C)c1c2c(cc3c1OCO3)CCN2.
What is the InChIKey of N,N-dimethyl-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indol-4-amine?
The InChIKey is WDYDQAKZZXQDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-13(2)10-9-7(3-4-12-9)5-8-11(10)15-6-14-8/h5,12H,3-4,6H2,1-2H3.
What are the key properties of N,N-dimethyl-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indol-4-amine?
N,N-dimethyl-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indol-4-amine has a molecular weight of 206.24 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indol-4-amine is sourced from PubChem (CID 96617326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).