(1R)-3,3-dimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine

C14H19N — CID 115483155

IUPAC(1R)-3,3-dimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine
SMILESCC1(C)C[C@@H](N)c2cc3c(cc21)CCC3
InChIInChI=1S/C14H19N/c1-14(2)8-13(15)11-6-9-4-3-5-10(9)7-12(11)14/h6-7,13H,3-5,8,15H2,1-2H3/t13-/m1/s1
InChIKeyGBCYRKWIONZZPU-CYBMUJFWSA-N
MW201.31 g/mol
LogP2.86
Rot. Bonds

About (1R)-3,3-dimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine

(1R)-3,3-dimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine (PubChem CID 115483155) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (1R)-3,3-dimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine.

Molecular Properties

Compound Name(1R)-3,3-dimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine
PubChem CID115483155
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(1R)-3,3-dimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine
SMILESCC1(C)C[C@@H](N)c2cc3c(cc21)CCC3
InChIInChI=1S/C14H19N/c1-14(2)8-13(15)11-6-9-4-3-5-10(9)7-12(11)14/h6-7,13H,3-5,8,15H2,1-2H3/t13-/m1/s1
InChIKeyGBCYRKWIONZZPU-CYBMUJFWSA-N
XLogP2.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,3,3-trimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine
CID 115483154
(1S)-3,3-dimethyl-1,2,5,6,7,8-hexahydrocyclopenta[b]naphthalen-1-ol
CID 115483220
(1R)-5,6-diethyl-3,3-dimethyl-1,2-dihydroinden-1-amine
CID 115483206
3,3-dimethyl-N-propyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine
CID 115483148
3,3-dimethyl-6-nitro-1,2-dihydroinden-1-amine
CID 19365901
1,1,3,3-tetramethyl-5,6,7,8-tetrahydro-2H-cyclopenta[b]naphthalene
CID 139783545
5-bromo-7,7-dimethyl-2,3,5,6,8,9-hexahydro-1H-cyclohepta[f]indene
CID 115483281
7,7-dimethyl-2,3,5,6,8,9-hexahydro-1H-cyclohepta[f]inden-5-ol
CID 113319284
1,2-dimethyl-3,5,6,7-tetrahydro-2H-s-indacene-1-carboxamide
CID 166667128
[(1R,3R)-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylcyclopropyl]methanamine
CID 178197685
3-amino-5,5-dimethyl-3,4-dihydro-1H-1-benzazepin-2-one
CID 22312377
3,4,5,7,8,9-hexahydro-2H-cyclopenta[h][1]benzothiepin-5-amine
CID 43155194

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3-dimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine?
The IUPAC name of (1R)-3,3-dimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine (CID 115483155) is (1R)-3,3-dimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine.
What is the SMILES notation for (1R)-3,3-dimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine?
The canonical SMILES for (1R)-3,3-dimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine is CC1(C)C[C@@H](N)c2cc3c(cc21)CCC3.
What is the InChIKey of (1R)-3,3-dimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine?
The InChIKey is GBCYRKWIONZZPU-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N/c1-14(2)8-13(15)11-6-9-4-3-5-10(9)7-12(11)14/h6-7,13H,3-5,8,15H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-3,3-dimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine?
(1R)-3,3-dimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine has a molecular weight of 201.31 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3-dimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine is sourced from PubChem (CID 115483155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).