N-(3-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine

C16H23NS — CID 103784505

IUPACN-(3-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
SMILESCSC1CCCC(NC2CCc3ccccc32)C1
InChIInChI=1S/C16H23NS/c1-18-14-7-4-6-13(11-14)17-16-10-9-12-5-2-3-8-15(12)16/h2-3,5,8,13-14,16-17H,4,6-7,9-11H2,1H3
InChIKeyQXXXXQVFDRXGRB-UHFFFAOYSA-N
MW261.43 g/mol
LogP3.94
Rot. Bonds3

About N-(3-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine

N-(3-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 103784505) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is N-(3-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID103784505
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC NameN-(3-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
SMILESCSC1CCCC(NC2CCc3ccccc32)C1
InChIInChI=1S/C16H23NS/c1-18-14-7-4-6-13(11-14)17-16-10-9-12-5-2-3-8-15(12)16/h2-3,5,8,13-14,16-17H,4,6-7,9-11H2,1H3
InChIKeyQXXXXQVFDRXGRB-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)oxan-3-amine
CID 63359821
N-cyclopentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43095434
N-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43094582
N-cyclohexyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43080330
N-(4-propan-2-ylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
CID 63421668
N-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64731805
N-(4-propan-2-ylcycloheptyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65087328
N-(2-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113262269
6-bromo-N-(3-methylsulfanylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 103784489
N-(2-methoxycyclopentyl)-2,3-dihydro-1H-inden-1-amine
CID 62086936
N-(4-propylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
CID 43081045
N-(2-ethylcyclopentyl)-2,3-dihydro-1H-inden-1-amine
CID 115728090

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(3-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine (CID 103784505) is N-(3-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(3-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(3-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine is CSC1CCCC(NC2CCc3ccccc32)C1.
What is the InChIKey of N-(3-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is QXXXXQVFDRXGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-18-14-7-4-6-13(11-14)17-16-10-9-12-5-2-3-8-15(12)16/h2-3,5,8,13-14,16-17H,4,6-7,9-11H2,1H3.
What are the key properties of N-(3-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine?
N-(3-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 261.43 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 103784505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).