N,3,3-trimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine

C15H21N — CID 115483154

IUPACN,3,3-trimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine
SMILESCNC1CC(C)(C)c2cc3c(cc21)CCC3
InChIInChI=1S/C15H21N/c1-15(2)9-14(16-3)12-7-10-5-4-6-11(10)8-13(12)15/h7-8,14,16H,4-6,9H2,1-3H3
InChIKeyRFMDELZEXVGJSF-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.12
Rot. Bonds1

About N,3,3-trimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine

N,3,3-trimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine (PubChem CID 115483154) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N,3,3-trimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine
PubChem CID115483154
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN,3,3-trimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine
SMILESCNC1CC(C)(C)c2cc3c(cc21)CCC3
InChIInChI=1S/C15H21N/c1-15(2)9-14(16-3)12-7-10-5-4-6-11(10)8-13(12)15/h7-8,14,16H,4-6,9H2,1-3H3
InChIKeyRFMDELZEXVGJSF-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-N-propyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine
CID 115483148
(1R)-3,3-dimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine
CID 115483155
5,6-dimethoxy-N,3,3-trimethyl-1,2-dihydroinden-1-amine
CID 79838516
(1S)-3,3-dimethyl-1,2,5,6,7,8-hexahydrocyclopenta[b]naphthalen-1-ol
CID 115483220
N,2,2-trimethyl-3,4,6,7,8,9-hexahydrobenzo[g]chromen-4-amine
CID 64696866
N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine
CID 3058652
N,3,3-trimethyltetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),7,11(15),12-pentaen-5-amine
CID 114939791
1,1,3,3-tetramethyl-5,6,7,8-tetrahydro-2H-cyclopenta[b]naphthalene
CID 139783545
3-bromo-N,7,7-trimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 62934035
3,3,5,6-tetramethyl-N-propyl-1,2-dihydroinden-1-amine
CID 115483170
7-ethyl-N,3,3-trimethyl-2,4-dihydro-1H-naphthalen-1-amine
CID 84622702
7,7-dimethyl-2,3,5,6,8,9-hexahydro-1H-cyclohepta[f]inden-5-ol
CID 113319284

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine?
The IUPAC name of N,3,3-trimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine (CID 115483154) is N,3,3-trimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine.
What is the SMILES notation for N,3,3-trimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine?
The canonical SMILES for N,3,3-trimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine is CNC1CC(C)(C)c2cc3c(cc21)CCC3.
What is the InChIKey of N,3,3-trimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine?
The InChIKey is RFMDELZEXVGJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-15(2)9-14(16-3)12-7-10-5-4-6-11(10)8-13(12)15/h7-8,14,16H,4-6,9H2,1-3H3.
What are the key properties of N,3,3-trimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine?
N,3,3-trimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine has a molecular weight of 215.34 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine is sourced from PubChem (CID 115483154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).