N-ethyl-1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine

C17H27NS — CID 65128460

IUPACN-ethyl-1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
SMILESCCNC(CSCC)CC1CCCc2ccccc21
InChIInChI=1S/C17H27NS/c1-3-18-16(13-19-4-2)12-15-10-7-9-14-8-5-6-11-17(14)15/h5-6,8,11,15-16,18H,3-4,7,9-10,12-13H2,1-2H3
InChIKeyNKFGECPQUZNFJX-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.23
Rot. Bonds7

About N-ethyl-1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine

N-ethyl-1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine (PubChem CID 65128460) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is N-ethyl-1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
PubChem CID65128460
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC NameN-ethyl-1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
SMILESCCNC(CSCC)CC1CCCc2ccccc21
InChIInChI=1S/C17H27NS/c1-3-18-16(13-19-4-2)12-15-10-7-9-14-8-5-6-11-17(14)15/h5-6,8,11,15-16,18H,3-4,7,9-10,12-13H2,1-2H3
InChIKeyNKFGECPQUZNFJX-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 65130800
N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-amine
CID 115812394
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine
CID 55241508
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 66418997
N-ethyl-1-(2-methylcyclopentyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 107187975
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
N-ethyl-1-(oxan-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 65332252
(1R)-1-cyclohexyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 81384440
1-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentan-3-amine
CID 113496280
(2S)-2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid
CID 107773515
N,N-diethyl-3-hydrazinyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine
CID 105244036
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine (CID 65128460) is N-ethyl-1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine is CCNC(CSCC)CC1CCCc2ccccc21.
What is the InChIKey of N-ethyl-1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine?
The InChIKey is NKFGECPQUZNFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-3-18-16(13-19-4-2)12-15-10-7-9-14-8-5-6-11-17(14)15/h5-6,8,11,15-16,18H,3-4,7,9-10,12-13H2,1-2H3.
What are the key properties of N-ethyl-1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine?
N-ethyl-1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine has a molecular weight of 277.48 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine is sourced from PubChem (CID 65128460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).