N,2,2-triethyl-4-phenylsulfanylbutan-1-amine

C16H27NS — CID 79228377

IUPACN,2,2-triethyl-4-phenylsulfanylbutan-1-amine
SMILESCCNCC(CC)(CC)CCSc1ccccc1
InChIInChI=1S/C16H27NS/c1-4-16(5-2,14-17-6-3)12-13-18-15-10-8-7-9-11-15/h7-11,17H,4-6,12-14H2,1-3H3
InChIKeyNCKYEZKKJQCIOQ-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.58
Rot. Bonds9

About N,2,2-triethyl-4-phenylsulfanylbutan-1-amine

N,2,2-triethyl-4-phenylsulfanylbutan-1-amine (PubChem CID 79228377) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is N,2,2-triethyl-4-phenylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN,2,2-triethyl-4-phenylsulfanylbutan-1-amine
PubChem CID79228377
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC NameN,2,2-triethyl-4-phenylsulfanylbutan-1-amine
SMILESCCNCC(CC)(CC)CCSc1ccccc1
InChIInChI=1S/C16H27NS/c1-4-16(5-2,14-17-6-3)12-13-18-15-10-8-7-9-11-15/h7-11,17H,4-6,12-14H2,1-3H3
InChIKeyNCKYEZKKJQCIOQ-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-4-phenylsulfanyl-N-propylbutan-1-amine
CID 79228599
2,2-diethyl-4-phenylsulfanyl-N-propan-2-ylbutan-1-amine
CID 79228777
N,2,2-triethyl-5-phenylpentan-1-amine
CID 63508622
2-ethyl-N-(2-methoxyethyl)-2-methyl-4-phenylsulfanylbutan-1-amine
CID 79227224
2-methyl-4-phenylsulfanylbutan-2-amine
CID 10584022
3-methyl-1-phenylsulfanylhexan-3-amine
CID 79223944
2,2-dimethyl-4-phenylsulfanyl-N-propan-2-ylbutan-1-amine
CID 79228773
N-ethyl-2-(2-phenylsulfanylethyl)pentan-1-amine
CID 79228872
[2-(bromomethyl)-2-ethylbutyl]sulfanylbenzene
CID 64998586
N-tert-butyl-3,3-dimethyl-5-phenylsulfanylpentan-1-amine
CID 81023439
2-ethyl-2-(methylamino)-5-phenylsulfanylpentan-1-ol
CID 106811106
2,2-diethyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine
CID 63508115

Frequently Asked Questions

What is the IUPAC name of N,2,2-triethyl-4-phenylsulfanylbutan-1-amine?
The IUPAC name of N,2,2-triethyl-4-phenylsulfanylbutan-1-amine (CID 79228377) is N,2,2-triethyl-4-phenylsulfanylbutan-1-amine.
What is the SMILES notation for N,2,2-triethyl-4-phenylsulfanylbutan-1-amine?
The canonical SMILES for N,2,2-triethyl-4-phenylsulfanylbutan-1-amine is CCNCC(CC)(CC)CCSc1ccccc1.
What is the InChIKey of N,2,2-triethyl-4-phenylsulfanylbutan-1-amine?
The InChIKey is NCKYEZKKJQCIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-4-16(5-2,14-17-6-3)12-13-18-15-10-8-7-9-11-15/h7-11,17H,4-6,12-14H2,1-3H3.
What are the key properties of N,2,2-triethyl-4-phenylsulfanylbutan-1-amine?
N,2,2-triethyl-4-phenylsulfanylbutan-1-amine has a molecular weight of 265.47 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-triethyl-4-phenylsulfanylbutan-1-amine is sourced from PubChem (CID 79228377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).