N-ethyl-4-methylidene-1-(4-methylphenyl)sulfanylhexan-2-amine

C16H25NS — CID 66066398

IUPACN-ethyl-4-methylidene-1-(4-methylphenyl)sulfanylhexan-2-amine
SMILESC=C(CC)CC(CSc1ccc(C)cc1)NCC
InChIInChI=1S/C16H25NS/c1-5-13(3)11-15(17-6-2)12-18-16-9-7-14(4)8-10-16/h7-10,15,17H,3,5-6,11-12H2,1-2,4H3
InChIKeyOABPUYWXDACAAS-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.42
Rot. Bonds8

About N-ethyl-4-methylidene-1-(4-methylphenyl)sulfanylhexan-2-amine

N-ethyl-4-methylidene-1-(4-methylphenyl)sulfanylhexan-2-amine (PubChem CID 66066398) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is N-ethyl-4-methylidene-1-(4-methylphenyl)sulfanylhexan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methylidene-1-(4-methylphenyl)sulfanylhexan-2-amine
PubChem CID66066398
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC NameN-ethyl-4-methylidene-1-(4-methylphenyl)sulfanylhexan-2-amine
SMILESC=C(CC)CC(CSc1ccc(C)cc1)NCC
InChIInChI=1S/C16H25NS/c1-5-13(3)11-15(17-6-2)12-18-16-9-7-14(4)8-10-16/h7-10,15,17H,3,5-6,11-12H2,1-2,4H3
InChIKeyOABPUYWXDACAAS-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(3-fluorophenyl)sulfanyl-4-methylidenehexan-2-amine
CID 66073336
1-(3-chlorophenyl)sulfanyl-N-ethyl-4-methylidenehexan-2-amine
CID 66147897
N-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine
CID 66066786
1-(3,5-dimethylphenyl)-N-ethyl-4-methylidenehexan-2-amine
CID 66036851
N-ethyl-1-(4-methylphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 66065206
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 79562228
N-ethyl-1-(furan-2-yl)-2-(4-methylphenyl)sulfanylethanamine
CID 66066591
N-ethyl-5-methylidene-1-phenylheptan-3-amine
CID 66038507
N-ethyl-1-(4-fluorophenyl)-4-methylidenehexan-2-amine
CID 66044344
N-ethyl-1-(4-methylphenyl)sulfanyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103010863
N-ethyl-1-(4-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087202
N-ethyl-4-methylidene-1-pyridin-2-ylhexan-2-amine
CID 66044585

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methylidene-1-(4-methylphenyl)sulfanylhexan-2-amine?
The IUPAC name of N-ethyl-4-methylidene-1-(4-methylphenyl)sulfanylhexan-2-amine (CID 66066398) is N-ethyl-4-methylidene-1-(4-methylphenyl)sulfanylhexan-2-amine.
What is the SMILES notation for N-ethyl-4-methylidene-1-(4-methylphenyl)sulfanylhexan-2-amine?
The canonical SMILES for N-ethyl-4-methylidene-1-(4-methylphenyl)sulfanylhexan-2-amine is C=C(CC)CC(CSc1ccc(C)cc1)NCC.
What is the InChIKey of N-ethyl-4-methylidene-1-(4-methylphenyl)sulfanylhexan-2-amine?
The InChIKey is OABPUYWXDACAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-5-13(3)11-15(17-6-2)12-18-16-9-7-14(4)8-10-16/h7-10,15,17H,3,5-6,11-12H2,1-2,4H3.
What are the key properties of N-ethyl-4-methylidene-1-(4-methylphenyl)sulfanylhexan-2-amine?
N-ethyl-4-methylidene-1-(4-methylphenyl)sulfanylhexan-2-amine has a molecular weight of 263.45 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methylidene-1-(4-methylphenyl)sulfanylhexan-2-amine is sourced from PubChem (CID 66066398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).