N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propyl]pentan-2-amine

C17H27NS — CID 55196306

IUPACN-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propyl]pentan-2-amine
SMILESCCCC(C)NCC(C)Sc1ccc2c(c1)CCC2
InChIInChI=1S/C17H27NS/c1-4-6-13(2)18-12-14(3)19-17-10-9-15-7-5-8-16(15)11-17/h9-11,13-14,18H,4-8,12H2,1-3H3
InChIKeyOGGWWJBRPKBWAC-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.43
Rot. Bonds7

About N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propyl]pentan-2-amine

N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propyl]pentan-2-amine (PubChem CID 55196306) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propyl]pentan-2-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propyl]pentan-2-amine
PubChem CID55196306
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC NameN-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propyl]pentan-2-amine
SMILESCCCC(C)NCC(C)Sc1ccc2c(c1)CCC2
InChIInChI=1S/C17H27NS/c1-4-6-13(2)18-12-14(3)19-17-10-9-15-7-5-8-16(15)11-17/h9-11,13-14,18H,4-8,12H2,1-3H3
InChIKeyOGGWWJBRPKBWAC-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine
CID 64705422
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylbutan-2-amine
CID 64647689
1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylpentan-2-amine
CID 64648659
1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine
CID 64648658
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanenitrile
CID 64709204
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanamide
CID 64711312
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanal
CID 165440470
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentan-2-amine
CID 43108616
methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoate
CID 60730756
1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylethanamine
CID 104755464
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylhexan-3-amine
CID 106808314
N-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 60652410

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propyl]pentan-2-amine?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propyl]pentan-2-amine (CID 55196306) is N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propyl]pentan-2-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propyl]pentan-2-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propyl]pentan-2-amine is CCCC(C)NCC(C)Sc1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propyl]pentan-2-amine?
The InChIKey is OGGWWJBRPKBWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-4-6-13(2)18-12-14(3)19-17-10-9-15-7-5-8-16(15)11-17/h9-11,13-14,18H,4-8,12H2,1-3H3.
What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propyl]pentan-2-amine?
N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propyl]pentan-2-amine has a molecular weight of 277.48 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propyl]pentan-2-amine is sourced from PubChem (CID 55196306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).