N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine

C13H17N — CID 3058652

IUPACN-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine
SMILESCNC1CCc2cc3c(cc21)CCC3
InChIInChI=1S/C13H17N/c1-14-13-6-5-11-7-9-3-2-4-10(9)8-12(11)13/h7-8,13-14H,2-6H2,1H3
InChIKeyUQQWWDJEYJDSCT-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.38
Rot. Bonds1

About N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine

N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine (PubChem CID 3058652) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine.

Molecular Properties

Compound NameN-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine
PubChem CID3058652
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC NameN-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine
SMILESCNC1CCc2cc3c(cc21)CCC3
InChIInChI=1S/C13H17N/c1-14-13-6-5-11-7-9-3-2-4-10(9)8-12(11)13/h7-8,13-14H,2-6H2,1H3
InChIKeyUQQWWDJEYJDSCT-UHFFFAOYSA-N
XLogP2.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-N,6-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 172576256
6-chloro-5-iodo-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 155205670
N-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-amine
CID 62735808
6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 54776023
5-fluoro-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 126986909
N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)benzamide
CID 3058670
6,7-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55109039
6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83912581
N,3,3-trimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine
CID 115483154
N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-(4-methylpiperazin-1-yl)acetamide;dihydrochloride
CID 3058673
N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627798
N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide chloride
CID 53351434

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine?
The IUPAC name of N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine (CID 3058652) is N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine.
What is the SMILES notation for N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine?
The canonical SMILES for N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine is CNC1CCc2cc3c(cc21)CCC3.
What is the InChIKey of N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine?
The InChIKey is UQQWWDJEYJDSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-14-13-6-5-11-7-9-3-2-4-10(9)8-12(11)13/h7-8,13-14H,2-6H2,1H3.
What are the key properties of N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine?
N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine has a molecular weight of 187.29 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine is sourced from PubChem (CID 3058652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).