N-tert-butyl-3,3-dimethyl-5-phenylsulfanylpentan-1-amine

C17H29NS — CID 81023439

IUPACN-tert-butyl-3,3-dimethyl-5-phenylsulfanylpentan-1-amine
SMILESCC(C)(CCNC(C)(C)C)CCSc1ccccc1
InChIInChI=1S/C17H29NS/c1-16(2,3)18-13-11-17(4,5)12-14-19-15-9-7-6-8-10-15/h6-10,18H,11-14H2,1-5H3
InChIKeyULGBCPUUWJUSLH-UHFFFAOYSA-N
MW279.49 g/mol
LogP4.97
Rot. Bonds7

About N-tert-butyl-3,3-dimethyl-5-phenylsulfanylpentan-1-amine

N-tert-butyl-3,3-dimethyl-5-phenylsulfanylpentan-1-amine (PubChem CID 81023439) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is N-tert-butyl-3,3-dimethyl-5-phenylsulfanylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3,3-dimethyl-5-phenylsulfanylpentan-1-amine
PubChem CID81023439
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC NameN-tert-butyl-3,3-dimethyl-5-phenylsulfanylpentan-1-amine
SMILESCC(C)(CCNC(C)(C)C)CCSc1ccccc1
InChIInChI=1S/C17H29NS/c1-16(2,3)18-13-11-17(4,5)12-14-19-15-9-7-6-8-10-15/h6-10,18H,11-14H2,1-5H3
InChIKeyULGBCPUUWJUSLH-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.49
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(3-phenylsulfanylpropyl)propan-2-amine
CID 61385906
2,2-dimethyl-4-phenylsulfanyl-N-propan-2-ylbutan-1-amine
CID 79228773
2-methyl-4-phenylsulfanylbutan-2-amine
CID 10584022
1-[2-(tert-butylamino)ethyl]-2-methyl-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111767332
3-methyl-1-phenylsulfanylhexan-3-amine
CID 79223944
3,3-dimethyl-4-phenylsulfanylbutan-1-amine
CID 115026624
N-(2-methyl-4-phenylsulfanylbutan-2-yl)acetamide
CID 10633640
N-[2-(3-chlorophenyl)sulfanylethyl]-2-methylpropan-2-amine
CID 62647206
2-methyl-N-[3-(4-methylphenyl)sulfanylpropyl]propan-2-amine
CID 61386051
2,2-dimethyl-4-phenylsulfanylbutanamide
CID 142130509
N-[2-(4-tert-butylphenyl)sulfanylethyl]aniline
CID 63515630
N-tert-butyl-4-(4-methylphenyl)sulfanylbutan-1-amine
CID 62585200

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,3-dimethyl-5-phenylsulfanylpentan-1-amine?
The IUPAC name of N-tert-butyl-3,3-dimethyl-5-phenylsulfanylpentan-1-amine (CID 81023439) is N-tert-butyl-3,3-dimethyl-5-phenylsulfanylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-3,3-dimethyl-5-phenylsulfanylpentan-1-amine?
The canonical SMILES for N-tert-butyl-3,3-dimethyl-5-phenylsulfanylpentan-1-amine is CC(C)(CCNC(C)(C)C)CCSc1ccccc1.
What is the InChIKey of N-tert-butyl-3,3-dimethyl-5-phenylsulfanylpentan-1-amine?
The InChIKey is ULGBCPUUWJUSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-16(2,3)18-13-11-17(4,5)12-14-19-15-9-7-6-8-10-15/h6-10,18H,11-14H2,1-5H3.
What are the key properties of N-tert-butyl-3,3-dimethyl-5-phenylsulfanylpentan-1-amine?
N-tert-butyl-3,3-dimethyl-5-phenylsulfanylpentan-1-amine has a molecular weight of 279.49 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,3-dimethyl-5-phenylsulfanylpentan-1-amine is sourced from PubChem (CID 81023439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).